{ "conflicts": [], "coverage": { "cells": { "DnaK-ADP-undocked": { "af_prediction": 0, "force_spectroscopy": 0, "integrative": 0, "md": 0, "nmr_shifts": 0, "nmr_structure": 1, "saxs_sans": 0, "xray": 0 }, "DnaK-ATP-docked": { "af_prediction": 0, "force_spectroscopy": 0, "integrative": 0, "md": 0, "nmr_shifts": 0, "nmr_structure": 0, "saxs_sans": 0, "xray": 1 } }, "data_levels": { "DnaK-ADP-undocked": { "nmr_structure": "processed" }, "DnaK-ATP-docked": { "xray": "processed" } }, "single_method_states": [ "DnaK-ADP-undocked", "DnaK-ATP-docked" ], "states": [ "DnaK-ADP-undocked", "DnaK-ATP-docked" ], "techniques": [ "xray", "nmr_structure", "nmr_shifts", "saxs_sans", "force_spectroscopy", "integrative", "af_prediction", "md" ], "unmapped_evidence": 91 }, "curation": { "as_of": "2026-10-19", "curator": "draft (unreviewed)", "file": "P0A6Y8.yaml", "status": "draft" }, "evidence": [ { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1DIB", "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Chaperone protein DnaK (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/13IQ", "evidence_id": "EV-PDB-13IQ-1", "mappings": [], "molecule_id": "P0A6Y8", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.87 }, "provenance": { "deposit_id": "13IQ", "doi": "10.1002/anie.1777033", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/13IQ" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "E. coli DnaK bound to Telaprevir" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1DF0" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Chaperone protein DnaK (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/13IU", "evidence_id": "EV-PDB-13IU-1", "mappings": [], "molecule_id": "P0A6Y8", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.87 }, "provenance": { "deposit_id": "13IU", "doi": "10.1002/anie.1777033", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/13IU" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "E. coli DnaK bound to peptide PA9" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1DFX" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Chaperone protein DnaK (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/13IV", "evidence_id": "EV-PDB-13IV-1", "mappings": [], "molecule_id": "P0A6Y8", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 3.23 }, "provenance": { "deposit_id": "13IV", "doi": "10.1002/anie.1777033", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/13IV" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "E. coli DaK bound to peptide PA1, structure A" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1DHT", "IOD", "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Chaperone protein DnaK (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/13JK", "evidence_id": "EV-PDB-13JK-1", "mappings": [], "molecule_id": "P0A6Y8", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.62 }, "provenance": { "deposit_id": "13JK", "doi": "10.1002/anie.1777033", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/13JK" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "E. coli DnaK bound to peptide PA5" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.0, "salt_mM": null, "temperature_c": 24.85 }, "construct": { "description": "DNAK (chains A)", "labels": [] }, "data_format": "mmCIF + NMR restraints", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1BPR", "evidence_id": "EV-PDB-1BPR-1", "mappings": [], "molecule_id": "P0A6Y8", "observable": { "type": "structure", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "1BPR", "doi": "10.1021/bi9800855", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1BPR" }, "reader": null, "source_kind": "deposit", "technique": "nmr_structure", "title": "NMR STRUCTURE OF THE SUBSTRATE BINDING DOMAIN OF DNAK, MINIMIZED AVERAGE STRUCTURE" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.8, "salt_mM": null, "temperature_c": 29.85 }, "construct": { "description": "DNAK (chains A)", "labels": [] }, "data_format": "mmCIF + NMR restraints", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1DG4", "evidence_id": "EV-PDB-1DG4-1", "mappings": [], "molecule_id": "P0A6Y8", "observable": { "type": "structure", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "1DG4", "doi": "10.1038/74062", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1DG4" }, "reader": null, "source_kind": "deposit", "technique": "nmr_structure", "title": "NMR STRUCTURE OF THE SUBSTRATE BINDING DOMAIN OF DNAK IN THE APO FORM" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": null }, "construct": { "description": "SUBSTRATE BINDING DOMAIN OF DNAK (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1DKX", "evidence_id": "EV-PDB-1DKX-1", "mappings": [], "molecule_id": "P0A6Y8", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.0 }, "provenance": { "deposit_id": "1DKX", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1DKX" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "THE SUBSTRATE BINDING DOMAIN OF DNAK IN COMPLEX WITH A SUBSTRATE PEPTIDE, DETERMINED FROM TYPE 1 SELENOMETHIONYL CRYSTALS" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": null }, "construct": { "description": "DNAK (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1DKY", "evidence_id": "EV-PDB-1DKY-1", "mappings": [], "molecule_id": "P0A6Y8", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.8 }, "provenance": { "deposit_id": "1DKY", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1DKY" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "THE SUBSTRATE BINDING DOMAIN OF DNAK IN COMPLEX WITH A SUBSTRATE PEPTIDE, DETERMINED FROM TYPE 2 NATIVE CRYSTALS" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": null }, "construct": { "description": "SUBSTRATE BINDING DOMAIN OF DNAK (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1DKZ", "evidence_id": "EV-PDB-1DKZ-1", "mappings": [], "molecule_id": "P0A6Y8", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.0 }, "provenance": { "deposit_id": "1DKZ", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1DKZ" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "THE SUBSTRATE BINDING DOMAIN OF DNAK IN COMPLEX WITH A SUBSTRATE PEPTIDE, DETERMINED FROM TYPE 1 NATIVE CRYSTALS" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.2, "salt_mM": null, "temperature_c": 26.85 }, "construct": { "description": "Heat shock protein 70 (chains A)", "labels": [] }, "data_format": "mmCIF + NMR restraints", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2KHO", "evidence_id": "EV-PDB-2KHO-1", "mappings": [ { "confidence": "high", "justification": "Full-length DnaK with ADP and substrate, NMR-RDC refined.", "rule": "curator_assignment", "state_id": "DnaK-ADP-undocked", "who": "curator:draft (unreviewed)" } ], "molecule_id": "P0A6Y8", "observable": { "type": "structure", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "2KHO", "doi": "10.1073/pnas.0903503106", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2KHO" }, "reader": null, "source_kind": "deposit", "technique": "nmr_structure", "title": "NMR-RDC / XRAY structure of E. coli HSP70 (DNAK) chaperone (1-605) complexed with ADP and substrate" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 5.0, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Chaperone protein dnaK (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3DPO", "evidence_id": "EV-PDB-3DPO-1", "mappings": [], "molecule_id": "P0A6Y8", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.1 }, "provenance": { "deposit_id": "3DPO", "doi": "10.1128/JB.01131-08", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3DPO" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of the substrate binding domain of E. coli DnaK in complex with a short pyrrhocoricin-derived inhibitor peptide" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 5.0, "salt_mM": null, "temperature_c": 19.85 }, "construct": { "description": "Chaperone protein dnaK (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3DPP", "evidence_id": "EV-PDB-3DPP-1", "mappings": [], "molecule_id": "P0A6Y8", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.5 }, "provenance": { "deposit_id": "3DPP", "doi": "10.1128/JB.01131-08", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3DPP" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of the substrate binding domain of E. coli DnaK in complex with a long pyrrhocoricin-derived inhibitor peptide (form A)" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 5.0, "salt_mM": null, "temperature_c": 19.85 }, "construct": { "description": "Chaperone protein dnaK (chains A,B,E,F)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3DPQ", "evidence_id": "EV-PDB-3DPQ-1", "mappings": [], "molecule_id": "P0A6Y8", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.6 }, "provenance": { "deposit_id": "3DPQ", "doi": "10.1128/JB.01131-08", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3DPQ" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of the substrate binding domain of E. coli DnaK in complex with a long pyrrhocoricin-derived inhibitor peptide (form B)" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "ATP", "MG" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.6, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "CHAPERONE PROTEIN DNAK (chains A,B,C,D)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4B9Q", "evidence_id": "EV-PDB-4B9Q-1", "mappings": [ { "confidence": "high", "justification": "Title: open conformation of ATP-bound DnaK.", "rule": "curator_assignment", "state_id": "DnaK-ATP-docked", "who": "curator:draft (unreviewed)" } ], "molecule_id": "P0A6Y8", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.4 }, "provenance": { "deposit_id": "4B9Q", "doi": "10.1016/J.MOLCEL.2012.09.023", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4B9Q" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Open conformation of ATP-bound Hsp70 homolog DnaK" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.0, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Chaperone protein DnaK (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4E81", "evidence_id": "EV-PDB-4E81-1", "mappings": [], "molecule_id": "P0A6Y8", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.9 }, "provenance": { "deposit_id": "4E81", "doi": "10.1021/cb300063v", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4E81" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of the substrate binding domain of E.coli DnaK in complex with a short apidaecin peptide" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 5.0, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Chaperone protein DnaK (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4EZN", "evidence_id": "EV-PDB-4EZN-1", "mappings": [], "molecule_id": "P0A6Y8", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.8 }, "provenance": { "deposit_id": "4EZN", "doi": "10.1016/j.jmb.2013.03.041", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4EZN" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of the substrate binding domain of E.coli DnaK in complex with pyrrhocoricin" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 4.0, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Chaperone protein DnaK (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4EZO", "evidence_id": "EV-PDB-4EZO-1", "mappings": [], "molecule_id": "P0A6Y8", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.9 }, "provenance": { "deposit_id": "4EZO", "doi": "10.1016/j.jmb.2013.03.041", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4EZO" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of the substrate binding domain of E.coli DnaK in complex with PR-39 (residues 1 to 15)" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 9.0, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Chaperone protein DnaK (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4EZQ", "evidence_id": "EV-PDB-4EZQ-1", "mappings": [], "molecule_id": "P0A6Y8", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.0 }, "provenance": { "deposit_id": "4EZQ", "doi": "10.1016/j.jmb.2013.03.041", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4EZQ" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of the substrate binding domain of E.coli DnaK in complex with the C-terminal part of pyrrhocoricin (residues 12 to 20)" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 9.0, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Chaperone protein DnaK (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4EZR", "evidence_id": "EV-PDB-4EZR-1", "mappings": [], "molecule_id": "P0A6Y8", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.9 }, "provenance": { "deposit_id": "4EZR", "doi": "10.1016/j.jmb.2013.03.041", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4EZR" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of the substrate binding domain of E.coli DnaK in complex with the C-terminal part of drosocin (residues 12 to 19)" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.0, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Chaperone protein DnaK (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4EZS", "evidence_id": "EV-PDB-4EZS-1", "mappings": [], "molecule_id": "P0A6Y8", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.9 }, "provenance": { "deposit_id": "4EZS", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4EZS" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of the substrate binding domain of E.coli DnaK in complex with metchnikowin (residues 20 to 26)" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.0, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Chaperone protein DnaK (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4EZU", "evidence_id": "EV-PDB-4EZU-1", "mappings": [], "molecule_id": "P0A6Y8", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.9 }, "provenance": { "deposit_id": "4EZU", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4EZU" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of the substrate binding domain of E.coli DnaK in complex with PR-bombesin in space group I222" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.0, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Chaperone protein DnaK (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4EZV", "evidence_id": "EV-PDB-4EZV-1", "mappings": [], "molecule_id": "P0A6Y8", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.1 }, "provenance": { "deposit_id": "4EZV", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4EZV" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of the substrate binding domain of E.coli DnaK in complex with PR-bombesin in space group P21212" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 4.1, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Chaperone protein DnaK (chains A,B,C,D)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4EZW", "evidence_id": "EV-PDB-4EZW-1", "mappings": [], "molecule_id": "P0A6Y8", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.8 }, "provenance": { "deposit_id": "4EZW", "doi": "10.1016/j.jmb.2013.03.041", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4EZW" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of the substrate binding domain of E.coli DnaK in complex with the designer peptide NRLLLTG" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 4.0, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Chaperone protein DnaK (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4EZX", "evidence_id": "EV-PDB-4EZX-1", "mappings": [], "molecule_id": "P0A6Y8", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.7 }, "provenance": { "deposit_id": "4EZX", "doi": "10.1016/j.jmb.2013.03.041", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4EZX" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of the substrate binding domain of E.coli DnaK in complex with the designer peptide NRLMLTG" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 9.0, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Chaperone protein DnaK (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4EZZ", "evidence_id": "EV-PDB-4EZZ-1", "mappings": [], "molecule_id": "P0A6Y8", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.05 }, "provenance": { "deposit_id": "4EZZ", "doi": "10.1016/j.jmb.2013.03.041", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4EZZ" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of the substrate binding domain of E.coli DnaK in complex with the designer peptide ELPLVKI" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 4.0, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Chaperone protein DnaK (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4F00", "evidence_id": "EV-PDB-4F00-1", "mappings": [], "molecule_id": "P0A6Y8", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.95 }, "provenance": { "deposit_id": "4F00", "doi": "10.1016/j.jmb.2013.03.041", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4F00" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of the substrate binding domain of E.coli DnaK in complex with an apidaecin fragment from the bumblebee (residues 3 to 11)" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.4, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Chaperone protein DnaK (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4F01", "evidence_id": "EV-PDB-4F01-1", "mappings": [], "molecule_id": "P0A6Y8", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.4 }, "provenance": { "deposit_id": "4F01", "doi": "10.1016/j.jmb.2013.03.041", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4F01" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of an artificial dimeric DnaK complex" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 4.1, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Chaperone protein DnaK (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4HY9", "evidence_id": "EV-PDB-4HY9-1", "mappings": [], "molecule_id": "P0A6Y8", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.55 }, "provenance": { "deposit_id": "4HY9", "doi": "10.1016/j.jmb.2013.03.041", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4HY9" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of the substrate binding domain of E.coli DnaK in complex with pyrrhocoricin_LYZZ (residues 1 to 11)" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 5.0, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Chaperone protein DnaK (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4HYB", "evidence_id": "EV-PDB-4HYB-1", "mappings": [], "molecule_id": "P0A6Y8", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.7 }, "provenance": { "deposit_id": "4HYB", "doi": "10.1016/j.jmb.2013.03.041", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4HYB" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of the substrate binding domain of E.coli DnaK in complex with pyrrhocoricin_LYZI (residues 1 to 10)" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "ATP", "GOL", "MG", "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Hsp70 CHAPERONE DnaK (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4JNE", "evidence_id": "EV-PDB-4JNE-1", "mappings": [], "molecule_id": "P0A6Y8", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.96 }, "provenance": { "deposit_id": "4JNE", "doi": "10.1038/nsmb.2583", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4JNE" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Allosteric opening of the polypeptide-binding site when an Hsp70 binds ATP" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 4.4, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Chaperone protein DnaK (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4JWD", "evidence_id": "EV-PDB-4JWD-1", "mappings": [], "molecule_id": "P0A6Y8", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.95 }, "provenance": { "deposit_id": "4JWD", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4JWD" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of the substrate binding domain of E.coli DnaK in complex with bovine Bac7(15-28)" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 5.0, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Chaperone protein DnaK (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4JWE", "evidence_id": "EV-PDB-4JWE-1", "mappings": [], "molecule_id": "P0A6Y8", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.95 }, "provenance": { "deposit_id": "4JWE", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4JWE" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of the substrate binding domain of E.coli DnaK in complex with sheep Bac7(1-21)" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 4.4, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Chaperone protein DnaK (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4JWI", "evidence_id": "EV-PDB-4JWI-1", "mappings": [], "molecule_id": "P0A6Y8", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.9 }, "provenance": { "deposit_id": "4JWI", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4JWI" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of the substrate binding domain of E.coli DnaK in complex with sheep Bac7(35-43)" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "3JE" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 5.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Chaperone protein DnaK (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4R5G", "evidence_id": "EV-PDB-4R5G-1", "mappings": [], "molecule_id": "P0A6Y8", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 3.4501 }, "provenance": { "deposit_id": "4R5G", "doi": "10.1021/cb500236y", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4R5G" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of the DnaK C-terminus with the inhibitor PET-16" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "PO4", "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 5.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Chaperone protein DnaK (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4R5I", "evidence_id": "EV-PDB-4R5I-1", "mappings": [], "molecule_id": "P0A6Y8", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.9702 }, "provenance": { "deposit_id": "4R5I", "doi": "10.1021/cb500236y", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4R5I" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of the DnaK C-terminus with the substrate peptide NRLLLTG" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CA", "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Chaperone protein DnaK (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4R5K", "evidence_id": "EV-PDB-4R5K-1", "mappings": [], "molecule_id": "P0A6Y8", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.7469 }, "provenance": { "deposit_id": "4R5K", "doi": "10.1021/cb500236y", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4R5K" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of the DnaK C-terminus (Dnak-SBD-B)" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CA", "PO4", "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 5.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Chaperone protein DnaK (chains A,B,C,D)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4R5L", "evidence_id": "EV-PDB-4R5L-1", "mappings": [], "molecule_id": "P0A6Y8", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.9701 }, "provenance": { "deposit_id": "4R5L", "doi": "10.1021/cb500236y", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4R5L" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of the DnaK C-terminus (Dnak-SBD-C)" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "ATP", "MG" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Chaperone protein DnaK (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5NRO", "evidence_id": "EV-PDB-5NRO-1", "mappings": [], "molecule_id": "P0A6Y8", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 3.25 }, "provenance": { "deposit_id": "5NRO", "doi": "10.1016/j.molcel.2017.12.003", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5NRO" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Structure of full-length DnaK with bound J-domain" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CA", "PO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Chaperone protein DnaK (chains A,B,C,D)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4R5J", "evidence_id": "EV-PDB-4R5J-1", "mappings": [], "molecule_id": "P0A6Y8", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.361 }, "provenance": { "deposit_id": "4R5J", "doi": "10.1021/cb500236y", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4R5J" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of the DnaK C-terminus (Dnak-SBD-A)" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 4.4, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Chaperone protein DnaK (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4JWC", "evidence_id": "EV-PDB-4JWC-1", "mappings": [], "molecule_id": "P0A6Y8", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.8 }, "provenance": { "deposit_id": "4JWC", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4JWC" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of the substrate binding domain of E.coli DnaK in complex with bovine Bac7(1-16)" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 8.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Hsp70 CHAPERONE DnaK (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4JNF", "evidence_id": "EV-PDB-4JNF-1", "mappings": [], "molecule_id": "P0A6Y8", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.621 }, "provenance": { "deposit_id": "4JNF", "doi": "10.1038/nsmb.2583", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4JNF" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Allosteric opening of the polypeptide-binding site when an Hsp70 binds ATP" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "ATP", "GOL", "MG", "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Chaperone protein DnaK (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4JN4", "evidence_id": "EV-PDB-4JN4-1", "mappings": [], "molecule_id": "P0A6Y8", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.3 }, "provenance": { "deposit_id": "4JN4", "doi": "10.1038/nsmb.2583", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4JN4" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Allosteric opening of the polypeptide-binding site when an Hsp70 binds ATP" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.0, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Chaperone protein DnaK (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4EZY", "evidence_id": "EV-PDB-4EZY-1", "mappings": [], "molecule_id": "P0A6Y8", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.85 }, "provenance": { "deposit_id": "4EZY", "doi": "10.1016/j.jmb.2013.03.041", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4EZY" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of the substrate binding domain of E.coli DnaK in complex with the designer peptide NRLILTG" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.0, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Chaperone protein DnaK (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4EZT", "evidence_id": "EV-PDB-4EZT-1", "mappings": [], "molecule_id": "P0A6Y8", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.0 }, "provenance": { "deposit_id": "4EZT", "doi": "10.1016/j.jmb.2013.03.041", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4EZT" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of the substrate binding domain of E.coli DnaK in complex with heliocin (residues 14 to 21)" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 5.0, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Chaperone protein DnaK (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4EZP", "evidence_id": "EV-PDB-4EZP-1", "mappings": [], "molecule_id": "P0A6Y8", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.65 }, "provenance": { "deposit_id": "4EZP", "doi": "10.1016/j.jmb.2013.03.041", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4EZP" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of the substrate binding domain of E.coli DnaK in complex with A3-APO(residues 1 to 20)" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 4.0, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Chaperone protein DnaK (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3QNJ", "evidence_id": "EV-PDB-3QNJ-1", "mappings": [], "molecule_id": "P0A6Y8", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.28 }, "provenance": { "deposit_id": "3QNJ", "doi": "10.1002/cbic.201000792", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3QNJ" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of the substrate binding domain of E.coli DnaK in complex with the antimicrobial peptide oncocin" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.0, "salt_mM": null, "temperature_c": 24.85 }, "construct": { "description": "DNAK (chains A)", "labels": [] }, "data_format": "mmCIF + NMR restraints", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2BPR", "evidence_id": "EV-PDB-2BPR-1", "mappings": [], "molecule_id": "P0A6Y8", "observable": { "type": "structure", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "2BPR", "doi": "10.1021/bi9800855", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2BPR" }, "reader": null, "source_kind": "deposit", "technique": "nmr_structure", "title": "NMR STRUCTURE OF THE SUBSTRATE BINDING DOMAIN OF DNAK, 25 STRUCTURES" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.4, "salt_mM": null, "temperature_c": 29.85 }, "construct": { "description": "Chaperone protein dnaK (chains A)", "labels": [] }, "data_format": "mmCIF + NMR restraints", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1Q5L", "evidence_id": "EV-PDB-1Q5L-1", "mappings": [], "molecule_id": "P0A6Y8", "observable": { "type": "structure", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "1Q5L", "doi": "10.1110/ps.03269103", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1Q5L" }, "reader": null, "source_kind": "deposit", "technique": "nmr_structure", "title": "NMR structure of the substrate binding domain of DnaK bound to the peptide NRLLLTG" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 4.6, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "MOLECULAR CHAPERONE DNAK (chains D)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1DKG", "evidence_id": "EV-PDB-1DKG-2", "mappings": [], "molecule_id": "P0A6Y8", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.8 }, "provenance": { "deposit_id": "1DKG", "doi": "10.1126/science.276.5311.431", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1DKG" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "CRYSTAL STRUCTURE OF THE NUCLEOTIDE EXCHANGE FACTOR GRPE BOUND TO THE ATPASE DOMAIN OF THE MOLECULAR CHAPERONE DNAK" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "A1DFX", "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Chaperone protein DnaK (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/13JG", "evidence_id": "EV-PDB-13JG-1", "mappings": [], "molecule_id": "P0A6Y8", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.52 }, "provenance": { "deposit_id": "13JG", "doi": "10.1002/anie.1777033", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/13JG" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "E. coli DnaK bound to peptide PA1, structure B" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "ACP" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.0, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Chaperone protein DnaK (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/5OOW", "evidence_id": "EV-PDB-5OOW-1", "mappings": [], "molecule_id": "P0A6Y8", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.9 }, "provenance": { "deposit_id": "5OOW", "doi": "10.1073/pnas.1716899115", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/5OOW" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of lobe II from the nucleotide binding domain of DnaK in complex with AMPPCP" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.0, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Chaperone protein DnaK (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7JMM", "evidence_id": "EV-PDB-7JMM-1", "mappings": [], "molecule_id": "P0A6Y8", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.56 }, "provenance": { "deposit_id": "7JMM", "doi": "10.1073/pnas.2016962118", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7JMM" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of the substrate-binding domain of E. coli DnaK in complex with the peptide RAKNIILLSR" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.0, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Chaperone protein DnaK (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7JN8", "evidence_id": "EV-PDB-7JN8-1", "mappings": [], "molecule_id": "P0A6Y8", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 3.09 }, "provenance": { "deposit_id": "7JN8", "doi": "10.1073/pnas.2016962118", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7JN8" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of the substrate-binding domain of E. coli DnaK in complex with the peptide RGNTLVIVSR" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.0, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Chaperone protein DnaK (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7JNE", "evidence_id": "EV-PDB-7JNE-1", "mappings": [], "molecule_id": "P0A6Y8", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.54 }, "provenance": { "deposit_id": "7JNE", "doi": "10.1073/pnas.2016962118", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7JNE" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of the substrate-binding domain of E. coli DnaK in complex with the peptide RGSQLRIASR" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "ATP", "MG", "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Chaperone protein DnaK (chains A,B,C,D)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7KO2", "evidence_id": "EV-PDB-7KO2-1", "mappings": [], "molecule_id": "P0A6Y8", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.64 }, "provenance": { "deposit_id": "7KO2", "doi": "10.1016/j.molcel.2021.07.039", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7KO2" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Restraining state of near full-length Hsp70 DnaK" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "ATP", "MG" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Chaperone protein DnaK (chains A,B,C,D)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7KRT", "evidence_id": "EV-PDB-7KRT-1", "mappings": [], "molecule_id": "P0A6Y8", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.79 }, "provenance": { "deposit_id": "7KRT", "doi": "10.1016/j.molcel.2021.07.039", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7KRT" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Restraining state of a truncated Hsp70 DnaK" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "6LN", "ATP", "MG", "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Chaperone protein DnaK fused with substrate peptide (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7KRV", "evidence_id": "EV-PDB-7KRV-1", "mappings": [], "molecule_id": "P0A6Y8", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.92 }, "provenance": { "deposit_id": "7KRV", "doi": "10.1016/j.molcel.2021.07.039", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7KRV" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Stimulating state of disulfide-bridged Hsp70 DnaK" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "ATP" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Chaperone protein DnaK fused with substrate peptide (chains A,B,C,D)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7KRW", "evidence_id": "EV-PDB-7KRW-1", "mappings": [], "molecule_id": "P0A6Y8", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 7.7 }, "provenance": { "deposit_id": "7KRW", "doi": "10.1016/j.molcel.2021.07.039", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7KRW" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Stimulating state of near full-length Hsp70 DnaK fused with a substrate peptide" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "ATP", "CL", "MG", "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Chaperone protein DnaK fused with substrate peptide,Chaperone protein DnaK fused with substrate peptide (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7KZI", "evidence_id": "EV-PDB-7KZI-1", "mappings": [], "molecule_id": "P0A6Y8", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.82 }, "provenance": { "deposit_id": "7KZI", "doi": "10.1107/S2059798321002436", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7KZI" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Intermediate state (QQQ) of near full-length DnaK alternatively fused with a substrate peptide" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "ATP", "GOL", "MG", "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Chaperone protein DnaK fused with substrate peptide,Chaperone protein DnaK fused with substrate peptide (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7KZU", "evidence_id": "EV-PDB-7KZU-1", "mappings": [], "molecule_id": "P0A6Y8", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.15 }, "provenance": { "deposit_id": "7KZU", "doi": "10.1107/S2059798321002436", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7KZU" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Quasi-intermediate state (Q) of a truncated Hsp70 DnaK fused with a substrate peptide" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.0, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Chaperone protein DnaK (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7N6J", "evidence_id": "EV-PDB-7N6J-1", "mappings": [], "molecule_id": "P0A6Y8", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.0 }, "provenance": { "deposit_id": "7N6J", "doi": "10.1073/pnas.2016962118", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7N6J" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of the substrate-binding domain of E. coli DnaK in complex with the peptide RKQSTIALALLPLLFTPRR" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "GOL", "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.0, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Chaperone protein DnaK (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7N6L", "evidence_id": "EV-PDB-7N6L-1", "mappings": [], "molecule_id": "P0A6Y8", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.4 }, "provenance": { "deposit_id": "7N6L", "doi": "10.1073/pnas.2016962118", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7N6L" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of the substrate-binding domain of E. coli DnaK in complex with the peptide EANQQKPLLGLFADG" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.0, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Chaperone protein DnaK (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7N6M", "evidence_id": "EV-PDB-7N6M-1", "mappings": [], "molecule_id": "P0A6Y8", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.82 }, "provenance": { "deposit_id": "7N6M", "doi": "10.1073/pnas.2016962118", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7N6M" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of the substrate-binding domain of E. coli DnaK in complex with the peptide RQKPLLGLSR" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "ATP", "GOL", "K", "MG", "NA" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Chaperone protein DnaK (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7RAX", "evidence_id": "EV-PDB-7RAX-1", "mappings": [], "molecule_id": "P0A6Y8", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.41 }, "provenance": { "deposit_id": "7RAX", "doi": "10.1016/j.molcel.2021.07.039", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7RAX" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "ATP-binding state of the nucleotide-binding domain of Hsp70 DnaK mutant T199A" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": null }, "construct": { "description": "P0A6Y8 (chains A)", "labels": [] }, "data_format": "mmCIF/IHM", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/9A2I", "evidence_id": "EV-PDB-9A2I-1", "mappings": [], "molecule_id": "P0A6Y8", "observable": { "type": "structure", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "9A2I", "doi": "10.1038/s41587-023-01704-z", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/9A2I" }, "reader": null, "source_kind": "deposit", "technique": "integrative", "title": "Model of E. coli DnaK by in-cell photo-crosslinking MS and deep learning" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.9, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Chaperone protein DnaK (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7N6K", "evidence_id": "EV-PDB-7N6K-1", "mappings": [], "molecule_id": "P0A6Y8", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.55 }, "provenance": { "deposit_id": "7N6K", "doi": "10.1073/pnas.2016962118", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7N6K" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of the substrate-binding domain of E. coli DnaK in complex with the peptide RALALLPLSR" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "ATP", "GOL", "MG", "PDO", "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": null, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Chaperone protein DnaK fused with substrate peptide (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7KRU", "evidence_id": "EV-PDB-7KRU-1", "mappings": [], "molecule_id": "P0A6Y8", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.82 }, "provenance": { "deposit_id": "7KRU", "doi": "10.1016/j.molcel.2021.07.039", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7KRU" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Stimulating state of a truncated Hsp70 DnaK fused with a substrate peptide" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "SO4" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 7.0, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Chaperone protein DnaK (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7JN9", "evidence_id": "EV-PDB-7JN9-1", "mappings": [], "molecule_id": "P0A6Y8", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.4 }, "provenance": { "deposit_id": "7JN9", "doi": "10.1073/pnas.2016962118", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7JN9" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal structure of the substrate-binding domain of E. coli DnaK in complex with the peptide QEHTGSQLRIAAYGP" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "From the first sample condition list of the entry.", "ph": 7.2, "salt_mM": null, "temperature_c": 26.85 }, "construct": { "description": "BMRB data: 13C chemical shifts, 15N chemical shifts, 1H chemical shifts", "labels": [] }, "data_format": "NMR-STAR", "data_level": "processed", "data_link": "https://bmrb.io/data_library/summary/index.php?bmrbId=27392", "evidence_id": "EV-BMRB-27392", "mappings": [], "molecule_id": "P0A6Y8", "observable": { "type": "chemical_shift", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "bmr27392", "doi": "10.13018/BMR27392", "licence": "CC0 1.0 (verify)", "retrieved": "2026-10-19", "source": "BMRB", "url": "https://bmrb.io/data_library/summary/index.php?bmrbId=27392" }, "reader": null, "source_kind": "deposit", "technique": "nmr_shifts", "title": "E.Coli DnaK Nucleotide Binding Domain" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "From the first sample condition list of the entry.", "ph": 7.0, "salt_mM": null, "temperature_c": 24.85 }, "construct": { "description": "BMRB data: 13C chemical shifts, 15N chemical shifts, 1H chemical shifts", "labels": [] }, "data_format": "NMR-STAR", "data_level": "processed", "data_link": "https://bmrb.io/data_library/summary/index.php?bmrbId=51802", "evidence_id": "EV-BMRB-51802", "mappings": [], "molecule_id": "P0A6Y8", "observable": { "type": "chemical_shift", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "bmr51802", "doi": "10.13018/BMR51802", "licence": "CC0 1.0 (verify)", "retrieved": "2026-10-19", "source": "BMRB", "url": "https://bmrb.io/data_library/summary/index.php?bmrbId=51802" }, "reader": null, "source_kind": "deposit", "technique": "nmr_shifts", "title": "Backbone assignment of DnaK C-terminal alpha-helical lid with C-IDR" }, { "conditions": { "applied_force_pn": null, "buffer": "20 mM Tris-Cl, 200 mM NaCl", "environment": "in_vitro", "ions": [], "ligands": [ "partner: Heme ligase" ], "notes": "Other molecules in the sample are listed as partners; Rg is of the whole sample. Dmax 13.8 nm.", "ph": 8.0, "salt_mM": null, "temperature_c": 25.0 }, "construct": { "description": "Chaperone protein DnaK with Heme ligase", "labels": [] }, "data_format": "scattering curve", "data_level": "processed", "data_link": "https://www.sasbdb.org/data/SASDXF5/", "evidence_id": "EV-SASBDB-SASDXF5", "mappings": [], "molecule_id": "P0A6Y8", "observable": { "type": "radius_of_gyration", "uncertainty": 0.108, "unit": "nm", "value": 3.828 }, "provenance": { "deposit_id": "SASDXF5", "doi": "10.1016/j.pep.2025.106789", "licence": "CC BY 4.0 (verify)", "retrieved": "2026-10-19", "source": "SASBDB", "url": "https://www.sasbdb.org/data/SASDXF5/" }, "reader": null, "source_kind": "deposit", "technique": "saxs_sans", "title": "Recombinant expression and purification of Plasmodium heme detoxification protein in E. coli: Challenges and discoveries." }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "DisProt annotations do not record sample conditions.", "ph": null, "salt_mM": null, "temperature_c": null }, "construct": { "description": "residues 606-638; evidence: nuclear magnetic resonance spectroscopy evidence used in manual assertion", "labels": [] }, "data_format": null, "data_level": "reported", "data_link": "https://europepmc.org/article/MED/10048327", "evidence_id": "EV-DISPROT-DP02985r001", "mappings": [], "molecule_id": "P0A6Y8", "observable": { "type": "disorder_region", "uncertainty": null, "unit": "residues", "value": 33 }, "provenance": { "deposit_id": "DP02985r001", "doi": null, "licence": "CC BY 4.0", "retrieved": "2026-10-19", "source": "DisProt", "url": "https://disprot.org/DP02985" }, "reader": null, "source_kind": "literature", "technique": "nmr_shifts", "title": "DisProt DP02985: disorder, residues 606-638" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_silico", "ions": [], "ligands": [], "notes": "Computed prediction; no experimental conditions.", "ph": null, "salt_mM": null, "temperature_c": null }, "construct": { "description": "AlphaFold Monomer v2.0 pipeline, residues 1-638", "labels": [] }, "data_format": "mmCIF, PAE JSON", "data_level": "processed", "data_link": "https://alphafold.ebi.ac.uk/entry/P0A6Y8", "evidence_id": "EV-AFDB-AF-P0A6Y8-F1", "mappings": [], "molecule_id": "P0A6Y8", "observable": { "type": "plddt", "uncertainty": null, "unit": "pLDDT", "value": 92.25 }, "provenance": { "deposit_id": "AF-P0A6Y8-F1", "doi": null, "licence": "CC BY 4.0", "retrieved": "2026-10-19", "source": "AlphaFold DB", "url": "https://alphafold.ebi.ac.uk/entry/P0A6Y8" }, "reader": null, "source_kind": "computed", "technique": "af_prediction", "title": "AlphaFold DB prediction AF-P0A6Y8-F1" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_silico", "ions": [], "ligands": [], "notes": "Simulation; temperature is the thermostat setting.", "ph": null, "salt_mM": null, "temperature_c": 26.85 }, "construct": { "description": "start 1BPR; Amber Parm99", "labels": [] }, "data_format": "trajectory", "data_level": "processed", "data_link": "https://mmb.mddbr.eu/#/id/A004W/overview", "evidence_id": "EV-MDDB-A004W", "mappings": [], "molecule_id": "P0A6Y8", "observable": { "type": "trajectory", "uncertainty": null, "unit": "ns", "value": 10.0 }, "provenance": { "deposit_id": "A004W", "doi": "10.1016/j.str.2010.07.013", "licence": "This trajectory dataset is released under a Creative Commons Attribution 4.0 International Public License", "retrieved": "2026-10-19", "source": "MDDB", "url": "https://mmb.mddbr.eu/#/id/A004W/overview" }, "reader": null, "source_kind": "computed", "technique": "md", "title": "MoDEL 1BPR" } ], "models": [ { "assumptions": null, "basis": "observed", "constraints_used": [ "EV-PDB-2KHO-1" ], "file": "models/P0A6Y8/DnaK-ADP-undocked.cif", "format": "mmCIF", "model_id": "DnaK-ADP-undocked-cif", "molecule_id": "P0A6Y8", "provenance": { "deposit_id": "2KHO", "doi": "10.1073/pnas.0903503106", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://files.rcsb.org/download/2KHO.cif" }, "state_id": "DnaK-ADP-undocked" }, { "assumptions": null, "basis": "observed", "constraints_used": [ "EV-PDB-2KHO-1" ], "file": "models/P0A6Y8/DnaK-ADP-undocked.pdb", "format": "PDB", "model_id": "DnaK-ADP-undocked-pdb", "molecule_id": "P0A6Y8", "provenance": { "deposit_id": "2KHO", "doi": "10.1073/pnas.0903503106", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://files.rcsb.org/download/2KHO.pdb" }, "state_id": "DnaK-ADP-undocked" }, { "assumptions": null, "basis": "observed", "constraints_used": [ "EV-PDB-4B9Q-1" ], "file": "models/P0A6Y8/DnaK-ATP-docked.cif", "format": "mmCIF", "model_id": "DnaK-ATP-docked-cif", "molecule_id": "P0A6Y8", "provenance": { "deposit_id": "4B9Q", "doi": "10.1016/J.MOLCEL.2012.09.023", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://files.rcsb.org/download/4B9Q.cif" }, "state_id": "DnaK-ATP-docked" }, { "assumptions": null, "basis": "observed", "constraints_used": [ "EV-PDB-4B9Q-1" ], "file": "models/P0A6Y8/DnaK-ATP-docked.pdb", "format": "PDB", "model_id": "DnaK-ATP-docked-pdb", "molecule_id": "P0A6Y8", "provenance": { "deposit_id": "4B9Q", "doi": "10.1016/J.MOLCEL.2012.09.023", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://files.rcsb.org/download/4B9Q.pdb" }, "state_id": "DnaK-ATP-docked" } ], "molecule": { "components": [], "domains": [], "gene": "dnaK", "identifiers": { "genbank": null, "isoform": null, "nakb": null, "pdb": [], "rfam": null, "rnacentral": null, "uniprot": "P0A6Y8" }, "ligands": [], "modifications": [ { "kind": "ptm", "name": "N6-succinyllysine", "position": 70, "source": "UniProtKB" }, { "kind": "ptm", "name": "N6-acetyllysine", "position": 109, "source": "UniProtKB" }, { "kind": "ptm", "name": "Phosphothreonine; by autocatalysis", "position": 199, "source": "UniProtKB" }, { "kind": "ptm", "name": "N6-acetyllysine; alternate", "position": 245, "source": "UniProtKB" }, { "kind": "ptm", "name": "N6-succinyllysine; alternate", "position": 245, "source": "UniProtKB" }, { "kind": "ptm", "name": "N6-succinyllysine", "position": 246, "source": "UniProtKB" }, { "kind": "ptm", "name": "N6-acetyllysine; alternate", "position": 304, "source": "UniProtKB" }, { "kind": "ptm", "name": "N6-succinyllysine; alternate", "position": 304, "source": "UniProtKB" }, { "kind": "ptm", "name": "N6-succinyllysine", "position": 359, "source": "UniProtKB" }, { "kind": "ptm", "name": "N6-acetyllysine", "position": 421, "source": "UniProtKB" }, { "kind": "ptm", "name": "N6-succinyllysine", "position": 502, "source": "UniProtKB" }, { "kind": "ptm", "name": "N6-succinyllysine", "position": 528, "source": "UniProtKB" }, { "kind": "ptm", "name": "N6-acetyllysine", "position": 556, "source": "UniProtKB" }, { "kind": "ptm", "name": "N6-succinyllysine", "position": 587, "source": "UniProtKB" } ], "molecule_id": "P0A6Y8", "molecule_type": "protein", "name": "Chaperone protein DnaK", "organism": { "name": "Escherichia coli (strain K12)", "taxon_id": 83333 }, "provenance": { "deposit_id": "P0A6Y8", "doi": null, "licence": "CC BY 4.0 (UniProt)", "retrieved": "2026-10-19", "source": "UniProtKB", "url": "https://www.uniprot.org/uniprotkb/P0A6Y8/entry" }, "sequence": "MGKIIGIDLGTTNSCVAIMDGTTPRVLENAEGDRTTPSIIAYTQDGETLVGQPAKRQAVTNPQNTLFAIKRLIGRRFQDEEVQRDVSIMPFKIIAADNGDAWVEVKGQKMAPPQISAEVLKKMKKTAEDYLGEPVTEAVITVPAYFNDAQRQATKDAGRIAGLEVKRIINEPTAAALAYGLDKGTGNRTIAVYDLGGGTFDISIIEIDEVDGEKTFEVLATNGDTHLGGEDFDSRLINYLVEEFKKDQGIDLRNDPLAMQRLKEAAEKAKIELSSAQQTDVNLPYITADATGPKHMNIKVTRAKLESLVEDLVNRSIEPLKVALQDAGLSVSDIDDVILVGGQTRMPMVQKKVAEFFGKEPRKDVNPDEAVAIGAAVQGGVLTGDVKDVLLLDVTPLSLGIETMGGVMTTLIAKNTTIPTKHSQVFSTAEDNQSAVTIHVLQGERKRAADNKSLGQFNLDGINPAPRGMPQIEVTFDIDADGILHVSAKDKNSGKEQKITIKASSGLNEDEIQKMVRDAEANAEADRKFEELVQTRNQGDHLLHSTRKQVEEAGDKLPADDKTAIESALTALETALKGEDKAAIEAKMQELAQVSQKLMEIAQQQHAQQQTAGADASANNAKDDDVVDAEFEEVKDKK", "sequence_length": 638 }, "molecule_id": "P0A6Y8", "states": [ { "assumptions": [], "basis": "observed", "description": "Nucleotide-binding and substrate-binding domains undocked, lid closed, ADP bound, as in 2KHO (NMR-RDC and X-ray).", "family_label": null, "molecule_id": "P0A6Y8", "name": "ADP state, domains undocked", "parent_state": null, "population": null, "provenance": { "deposit_id": null, "doi": null, "licence": "Project licence (pending decision)", "retrieved": "2026-10-19", "source": "Conformome curation (P0A6Y8.yaml)", "url": "https://github.com/matth55/conformome/blob/HEAD/curation/P0A6Y8.yaml" }, "representative_model": "DnaK-ADP-undocked-cif", "secondary_structure": null, "state_id": "DnaK-ADP-undocked", "status": "draft" }, { "assumptions": [], "basis": "observed", "description": "Domains docked with the lid open, ATP bound, as in 4B9Q.", "family_label": null, "molecule_id": "P0A6Y8", "name": "ATP state, domains docked", "parent_state": null, "population": null, "provenance": { "deposit_id": null, "doi": null, "licence": "Project licence (pending decision)", "retrieved": "2026-10-19", "source": "Conformome curation (P0A6Y8.yaml)", "url": "https://github.com/matth55/conformome/blob/HEAD/curation/P0A6Y8.yaml" }, "representative_model": "DnaK-ATP-docked-cif", "secondary_structure": null, "state_id": "DnaK-ATP-docked", "status": "draft" } ], "transitions": [] }