{ "conflicts": [], "coverage": { "cells": { "Barnase-native": { "af_prediction": 1, "force_spectroscopy": 0, "md": 2, "nmr_dynamics": 1, "nmr_shifts": 9, "nmr_structure": 6, "xray": 45 }, "Barnase-unfolded": { "af_prediction": 0, "force_spectroscopy": 5, "md": 0, "nmr_dynamics": 0, "nmr_shifts": 0, "nmr_structure": 0, "xray": 0 } }, "data_levels": { "Barnase-native": { "af_prediction": "processed", "md": "processed", "nmr_dynamics": "processed", "nmr_shifts": "processed", "nmr_structure": "processed", "xray": "processed" }, "Barnase-unfolded": { "force_spectroscopy": "reported" } }, "single_method_states": [ "Barnase-unfolded" ], "states": [ "Barnase-native", "Barnase-unfolded" ], "techniques": [ "xray", "nmr_structure", "nmr_dynamics", "nmr_shifts", "force_spectroscopy", "af_prediction", "md" ], "unmapped_evidence": 2 }, "curation": { "as_of": "2026-10-19", "curator": "draft (unreviewed)", "file": "P00648.yaml", "status": "draft" }, "evidence": [ { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "ZN" ], "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": 13.85 }, "construct": { "description": "BARNASE (chains A,B,C)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1A2P", "evidence_id": "EV-PDB-1A2P-1", "mappings": [ { "confidence": "high", "justification": "Representative native structure; title and UniProt mapping checked against RCSB.", "rule": "curator_assignment", "state_id": "Barnase-native", "who": "curator:draft (unreviewed)" } ], "molecule_id": "P00648", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.5 }, "provenance": { "deposit_id": "1A2P", "doi": "10.1107/S0907444998010865", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1A2P" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "BARNASE WILDTYPE STRUCTURE AT 1.5 ANGSTROMS RESOLUTION" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "ZN" ], "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": "PROTEIN (BARNASE) (chains A,B,C)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1B20", "evidence_id": "EV-PDB-1B20-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "barnase-structures-native", "state_id": "Barnase-native", "who": "rule:barnase-structures-native" } ], "molecule_id": "P00648", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.7 }, "provenance": { "deposit_id": "1B20", "doi": "10.1107/S0907444902001567", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1B20" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "DELETION OF A BURIED SALT-BRIDGE IN BARNASE" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "ZN" ], "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": "PROTEIN (BARNASE) (chains A,B,C)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1B21", "evidence_id": "EV-PDB-1B21-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "barnase-structures-native", "state_id": "Barnase-native", "who": "rule:barnase-structures-native" } ], "molecule_id": "P00648", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.0 }, "provenance": { "deposit_id": "1B21", "doi": "10.1107/S0907444902001567", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1B21" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "DELETION OF A BURIED SALT BRIDGE IN BARNASE" }, { "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": "PROTEIN (BARNASE) (chains A,B,C)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1B27", "evidence_id": "EV-PDB-1B27-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "barnase-structures-native", "state_id": "Barnase-native", "who": "rule:barnase-structures-native" } ], "molecule_id": "P00648", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.1 }, "provenance": { "deposit_id": "1B27", "doi": "10.1006/jmbi.1998.2559", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1B27" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "STRUCTURAL RESPONSE TO MUTATION AT A PROTEIN-PROTEIN INTERFACE" }, { "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": "PROTEIN (BARNASE) (chains A,B,C)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1B2S", "evidence_id": "EV-PDB-1B2S-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "barnase-structures-native", "state_id": "Barnase-native", "who": "rule:barnase-structures-native" } ], "molecule_id": "P00648", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.82 }, "provenance": { "deposit_id": "1B2S", "doi": "10.1006/jmbi.1998.2559", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1B2S" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "STRUCTURAL RESPONSE TO MUTATION AT A PROTEIN-PROTEIN INTERFACE" }, { "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": 6.5, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "PROTEIN (BARNASE) (chains A,B,C)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1B2U", "evidence_id": "EV-PDB-1B2U-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "barnase-structures-native", "state_id": "Barnase-native", "who": "rule:barnase-structures-native" } ], "molecule_id": "P00648", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.1 }, "provenance": { "deposit_id": "1B2U", "doi": "10.1006/jmbi.1998.2559", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1B2U" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "STRUCTURAL RESPONSE TO MUTATION AT A PROTEIN-PROTEIN INTERFACE" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "ZN" ], "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": "PROTEIN (BARNASE) (chains A,B,C)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1B2X", "evidence_id": "EV-PDB-1B2X-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "barnase-structures-native", "state_id": "Barnase-native", "who": "rule:barnase-structures-native" } ], "molecule_id": "P00648", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.8 }, "provenance": { "deposit_id": "1B2X", "doi": "10.1107/S0907444902001567", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1B2X" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "BARNASE WILDTYPE STRUCTURE AT PH 7.5 FROM A CRYO_COOLED CRYSTAL AT 100K" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "ZN" ], "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": "PROTEIN (BARNASE) (chains A,B,C)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1B2Z", "evidence_id": "EV-PDB-1B2Z-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "barnase-structures-native", "state_id": "Barnase-native", "who": "rule:barnase-structures-native" } ], "molecule_id": "P00648", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.03 }, "provenance": { "deposit_id": "1B2Z", "doi": "10.1107/S0907444902001567", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1B2Z" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "DELETION OF A BURIED SALT BRIDGE IN BARNASE" }, { "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": "PROTEIN (BARNASE) (chains A,B,C)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1B3S", "evidence_id": "EV-PDB-1B3S-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "barnase-structures-native", "state_id": "Barnase-native", "who": "rule:barnase-structures-native" } ], "molecule_id": "P00648", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.39 }, "provenance": { "deposit_id": "1B3S", "doi": "10.1006/jmbi.1998.2559", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1B3S" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "STRUCTURAL RESPONSE TO MUTATION AT A PROTEIN-PROTEIN INTERFACE" }, { "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": "BARNASE (chains A,B,C)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1BAN", "evidence_id": "EV-PDB-1BAN-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "barnase-structures-native", "state_id": "Barnase-native", "who": "rule:barnase-structures-native" } ], "molecule_id": "P00648", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.2 }, "provenance": { "deposit_id": "1BAN", "doi": "10.1006/jmbi.1993.1667", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1BAN" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "THE CONTRIBUTION OF BURIED HYDROGEN BONDS TO PROTEIN STABILITY: THE CRYSTAL STRUCTURES OF TWO BARNASE MUTANTS" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "ZN" ], "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": "BARNASE (chains A,B,C)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1BAO", "evidence_id": "EV-PDB-1BAO-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "barnase-structures-native", "state_id": "Barnase-native", "who": "rule:barnase-structures-native" } ], "molecule_id": "P00648", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.2 }, "provenance": { "deposit_id": "1BAO", "doi": "10.1006/jmbi.1993.1667", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1BAO" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "THE CONTRIBUTION OF BURIED HYDROGEN BONDS TO PROTEIN STABILITY: THE CRYSTAL STRUCTURES OF TWO BARNASE MUTANTS" }, { "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": "BARNASE (chains A,B,C)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1BGS", "evidence_id": "EV-PDB-1BGS-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "barnase-structures-native", "state_id": "Barnase-native", "who": "rule:barnase-structures-native" } ], "molecule_id": "P00648", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.6 }, "provenance": { "deposit_id": "1BGS", "doi": "10.1016/0969-2126(93)90018-C", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1BGS" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "RECOGNITION BETWEEN A BACTERIAL RIBONUCLEASE, BARNASE, AND ITS NATURAL INHIBITOR, BARSTAR" }, { "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": "BARNASE (chains A,B,C)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1BNE", "evidence_id": "EV-PDB-1BNE-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "barnase-structures-native", "state_id": "Barnase-native", "who": "rule:barnase-structures-native" } ], "molecule_id": "P00648", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.1 }, "provenance": { "deposit_id": "1BNE", "doi": "10.1006/jmbi.1995.0568", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1BNE" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "BARNASE A43C/S80C DISULFIDE MUTANT" }, { "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": "BARNASE (chains A,B,C)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1BNF", "evidence_id": "EV-PDB-1BNF-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "barnase-structures-native", "state_id": "Barnase-native", "who": "rule:barnase-structures-native" } ], "molecule_id": "P00648", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.0 }, "provenance": { "deposit_id": "1BNF", "doi": "10.1006/jmbi.1995.0568", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1BNF" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "BARNASE T70C/S92C DISULFIDE MUTANT" }, { "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": "BARNASE (chains A,B,C)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1BNG", "evidence_id": "EV-PDB-1BNG-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "barnase-structures-native", "state_id": "Barnase-native", "who": "rule:barnase-structures-native" } ], "molecule_id": "P00648", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.1 }, "provenance": { "deposit_id": "1BNG", "doi": "10.1006/jmbi.1995.0568", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1BNG" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "BARNASE S85C/H102C DISULFIDE MUTANT" }, { "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": 6.0, "salt_mM": null, "temperature_c": null }, "construct": { "description": "BARNASE (chains A,B,C)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1BNI", "evidence_id": "EV-PDB-1BNI-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "barnase-structures-native", "state_id": "Barnase-native", "who": "rule:barnase-structures-native" } ], "molecule_id": "P00648", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.1 }, "provenance": { "deposit_id": "1BNI", "doi": "10.1006/jmbi.1993.1630", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1BNI" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "BARNASE WILDTYPE STRUCTURE AT PH 6.0" }, { "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": null }, "construct": { "description": "BARNASE (chains A,B,C)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1BNJ", "evidence_id": "EV-PDB-1BNJ-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "barnase-structures-native", "state_id": "Barnase-native", "who": "rule:barnase-structures-native" } ], "molecule_id": "P00648", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.1 }, "provenance": { "deposit_id": "1BNJ", "doi": "10.1006/jmbi.1993.1630", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1BNJ" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "BARNASE WILDTYPE STRUCTURE AT PH 9.0" }, { "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": "BARNASE (G SPECIFIC ENDONUCLEASE) (chains A)", "labels": [] }, "data_format": "mmCIF + NMR restraints", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1BNR", "evidence_id": "EV-PDB-1BNR-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "barnase-structures-native", "state_id": "Barnase-native", "who": "rule:barnase-structures-native" } ], "molecule_id": "P00648", "observable": { "type": "structure", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "1BNR", "doi": "10.1021/bi00099a030", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1BNR" }, "reader": null, "source_kind": "deposit", "technique": "nmr_structure", "title": "BARNASE" }, { "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": "BARNASE (chains A,B,C)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1BNS", "evidence_id": "EV-PDB-1BNS-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "barnase-structures-native", "state_id": "Barnase-native", "who": "rule:barnase-structures-native" } ], "molecule_id": "P00648", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.05 }, "provenance": { "deposit_id": "1BNS", "doi": "10.1006/jmbi.1993.1667", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1BNS" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "STRUCTURAL STUDIES OF BARNASE MUTANTS" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "ZN" ], "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": "BARNASE (chains A,B,C)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1BRG", "evidence_id": "EV-PDB-1BRG-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "barnase-structures-native", "state_id": "Barnase-native", "who": "rule:barnase-structures-native" } ], "molecule_id": "P00648", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.2 }, "provenance": { "deposit_id": "1BRG", "doi": "10.1107/S0907444994008851", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1BRG" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "CRYSTALLOGRAPHIC ANALYSIS OF PHE->LEU SUBSTITUTION IN THE HYDROPHOBIC CORE OF BARNASE" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "ZN" ], "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": "BARNASE (chains A,B,C)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1BRH", "evidence_id": "EV-PDB-1BRH-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "barnase-structures-native", "state_id": "Barnase-native", "who": "rule:barnase-structures-native" } ], "molecule_id": "P00648", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.0 }, "provenance": { "deposit_id": "1BRH", "doi": "10.1021/bi9524676", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1BRH" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "BARNASE MUTANT WITH LEU 14 REPLACED BY ALA" }, { "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": "BARNASE (chains A,B,C)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1BRI", "evidence_id": "EV-PDB-1BRI-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "barnase-structures-native", "state_id": "Barnase-native", "who": "rule:barnase-structures-native" } ], "molecule_id": "P00648", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.9 }, "provenance": { "deposit_id": "1BRI", "doi": "10.1021/bi9524676", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1BRI" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "BARNASE MUTANT WITH ILE 76 REPLACED BY ALA" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "ZN" ], "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": "BARNASE (chains A,B,C)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1BRJ", "evidence_id": "EV-PDB-1BRJ-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "barnase-structures-native", "state_id": "Barnase-native", "who": "rule:barnase-structures-native" } ], "molecule_id": "P00648", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.0 }, "provenance": { "deposit_id": "1BRJ", "doi": "10.1021/bi9524676", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1BRJ" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "BARNASE MUTANT WITH ILE 88 REPLACED BY ALA" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "ZN" ], "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": "BARNASE (chains A,B,C)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1BRK", "evidence_id": "EV-PDB-1BRK-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "barnase-structures-native", "state_id": "Barnase-native", "who": "rule:barnase-structures-native" } ], "molecule_id": "P00648", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.0 }, "provenance": { "deposit_id": "1BRK", "doi": "10.1021/bi9524676", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1BRK" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "BARNASE MUTANT WITH ILE 96 REPLACED BY ALA" }, { "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": "PROTEIN (BARNASE (E.C.3.1.27.-)) (chains L,M)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1BRN", "evidence_id": "EV-PDB-1BRN-2", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "barnase-structures-native", "state_id": "Barnase-native", "who": "rule:barnase-structures-native" } ], "molecule_id": "P00648", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.76 }, "provenance": { "deposit_id": "1BRN", "doi": "10.1021/bi00173a005", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1BRN" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "SUBSITE BINDING IN AN RNASE: STRUCTURE OF A BARNASE-TETRANUCLEOTIDE COMPLEX AT 1.76 ANGSTROMS RESOLUTION" }, { "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": "BARNASE (chains A,B,C)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1BRS", "evidence_id": "EV-PDB-1BRS-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "barnase-structures-native", "state_id": "Barnase-native", "who": "rule:barnase-structures-native" } ], "molecule_id": "P00648", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.0 }, "provenance": { "deposit_id": "1BRS", "doi": "10.1021/bi00196a004", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1BRS" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "PROTEIN-PROTEIN RECOGNITION: CRYSTAL STRUCTURAL ANALYSIS OF A BARNASE-BARSTAR COMPLEX AT 2.0-A RESOLUTION" }, { "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": "BARNASE (chains A,B,C)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1BSA", "evidence_id": "EV-PDB-1BSA-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "barnase-structures-native", "state_id": "Barnase-native", "who": "rule:barnase-structures-native" } ], "molecule_id": "P00648", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.0 }, "provenance": { "deposit_id": "1BSA", "doi": "10.1006/jmbi.1993.1630", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1BSA" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "CRYSTAL STRUCTURAL ANALYSIS OF MUTATIONS IN THE HYDROPHOBIC CORES OF BARNASE" }, { "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": "BARNASE (chains A,B,C)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1BSC", "evidence_id": "EV-PDB-1BSC-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "barnase-structures-native", "state_id": "Barnase-native", "who": "rule:barnase-structures-native" } ], "molecule_id": "P00648", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.0 }, "provenance": { "deposit_id": "1BSC", "doi": "10.1006/jmbi.1993.1630", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1BSC" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "CRYSTAL STRUCTURAL ANALYSIS OF MUTATIONS IN THE HYDROPHOBIC CORES OF BARNASE" }, { "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": "BARNASE (chains A,B,C)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1BSD", "evidence_id": "EV-PDB-1BSD-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "barnase-structures-native", "state_id": "Barnase-native", "who": "rule:barnase-structures-native" } ], "molecule_id": "P00648", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.3 }, "provenance": { "deposit_id": "1BSD", "doi": "10.1006/jmbi.1993.1630", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1BSD" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "CRYSTAL STRUCTURAL ANALYSIS OF MUTATIONS IN THE HYDROPHOBIC CORES OF BARNASE" }, { "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": "BARNASE (chains A,B,C)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1BSE", "evidence_id": "EV-PDB-1BSE-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "barnase-structures-native", "state_id": "Barnase-native", "who": "rule:barnase-structures-native" } ], "molecule_id": "P00648", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.0 }, "provenance": { "deposit_id": "1BSE", "doi": "10.1006/jmbi.1993.1630", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1BSE" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "CRYSTAL STRUCTURAL ANALYSIS OF MUTATIONS IN THE HYDROPHOBIC CORES OF BARNASE" }, { "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": 6.5, "salt_mM": null, "temperature_c": 29.85 }, "construct": { "description": "BARNASE (chains A)", "labels": [] }, "data_format": "mmCIF + NMR restraints", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1FW7", "evidence_id": "EV-PDB-1FW7-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "barnase-structures-native", "state_id": "Barnase-native", "who": "rule:barnase-structures-native" } ], "molecule_id": "P00648", "observable": { "type": "structure", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "1FW7", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1FW7" }, "reader": null, "source_kind": "deposit", "technique": "nmr_structure", "title": "NMR STRUCTURE OF 15N-LABELED BARNASE" }, { "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": null, "salt_mM": null, "temperature_c": null }, "construct": { "description": "BARNASE (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1RNB", "evidence_id": "EV-PDB-1RNB-2", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "barnase-structures-native", "state_id": "Barnase-native", "who": "rule:barnase-structures-native" } ], "molecule_id": "P00648", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.9 }, "provenance": { "deposit_id": "1RNB", "doi": "10.1016/0022-2836(91)90862-Z", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1RNB" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "CRYSTAL STRUCTURE OF A BARNASE-D(*GP*C) COMPLEX AT 1.9 ANGSTROMS RESOLUTION" }, { "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": -173.15 }, "construct": { "description": "Ribonuclease (chains A,B,C)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1X1U", "evidence_id": "EV-PDB-1X1U-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "barnase-structures-native", "state_id": "Barnase-native", "who": "rule:barnase-structures-native" } ], "molecule_id": "P00648", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.3 }, "provenance": { "deposit_id": "1X1U", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1X1U" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Water-mediate interaction at aprotein-protein interface" }, { "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": -173.15 }, "construct": { "description": "Ribonuclease (chains A,B,C)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1X1W", "evidence_id": "EV-PDB-1X1W-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "barnase-structures-native", "state_id": "Barnase-native", "who": "rule:barnase-structures-native" } ], "molecule_id": "P00648", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.1 }, "provenance": { "deposit_id": "1X1W", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1X1W" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Water-mediate interaction at aprotein-protein interface" }, { "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": -173.15 }, "construct": { "description": "Ribonuclease (chains A,B,C)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1X1X", "evidence_id": "EV-PDB-1X1X-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "barnase-structures-native", "state_id": "Barnase-native", "who": "rule:barnase-structures-native" } ], "molecule_id": "P00648", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.3 }, "provenance": { "deposit_id": "1X1X", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1X1X" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Water-mediate interaction at aprotein-protein interface" }, { "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": -173.15 }, "construct": { "description": "Ribonuclease (chains A,B,C)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1X1Y", "evidence_id": "EV-PDB-1X1Y-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "barnase-structures-native", "state_id": "Barnase-native", "who": "rule:barnase-structures-native" } ], "molecule_id": "P00648", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.9 }, "provenance": { "deposit_id": "1X1Y", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1X1Y" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Water-mediate interaction at aprotein-protein interface" }, { "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": 4.5, "salt_mM": null, "temperature_c": 13.85 }, "construct": { "description": "BARNASE (chains A)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1YVS", "evidence_id": "EV-PDB-1YVS-1", "mappings": [], "molecule_id": "P00648", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.2 }, "provenance": { "deposit_id": "1YVS", "doi": "10.1073/pnas.96.3.818", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1YVS" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Trimeric domain swapped barnase" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "2PE", "EDO", "FMT", "GOL", "MES", "SO4", "UNX" ], "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": "BARNASE MCOEETI FUSION (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2C4B", "evidence_id": "EV-PDB-2C4B-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "barnase-structures-native", "state_id": "Barnase-native", "who": "rule:barnase-structures-native" } ], "molecule_id": "P00648", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.3 }, "provenance": { "deposit_id": "2C4B", "doi": "10.1016/J.JMB.2005.11.005", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2C4B" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Inhibitor cystine knot protein McoEeTI fused to the catalytically inactive barnase mutant H102A" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "ZN" ], "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": 3.85 }, "construct": { "description": "Ribonuclease (chains A,B,C)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2F4Y", "evidence_id": "EV-PDB-2F4Y-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "barnase-structures-native", "state_id": "Barnase-native", "who": "rule:barnase-structures-native" } ], "molecule_id": "P00648", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.15 }, "provenance": { "deposit_id": "2F4Y", "doi": "10.1016/j.bbapap.2006.02.009", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2F4Y" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Barnase cross-linked with glutaraldehyde" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "URE", "ZN" ], "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": 3.85 }, "construct": { "description": "Ribonuclease (chains A,B,C)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2F56", "evidence_id": "EV-PDB-2F56-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "barnase-structures-native", "state_id": "Barnase-native", "who": "rule:barnase-structures-native" } ], "molecule_id": "P00648", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.955 }, "provenance": { "deposit_id": "2F56", "doi": "10.1016/j.bbapap.2006.02.009", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2F56" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Barnase cross-linked with glutaraldehyde soaked in 6M urea" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "BRJ" ], "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": 3.85 }, "construct": { "description": "Ribonuclease (chains A,B,C)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2F5M", "evidence_id": "EV-PDB-2F5M-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "barnase-structures-native", "state_id": "Barnase-native", "who": "rule:barnase-structures-native" } ], "molecule_id": "P00648", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.95 }, "provenance": { "deposit_id": "2F5M", "doi": "10.1016/j.bbapap.2006.02.009", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2F5M" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Cross-linked barnase soaked in bromo-ethanol" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "TOU", "ZN" ], "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": 3.85 }, "construct": { "description": "Ribonuclease (chains A,B,C)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2F5W", "evidence_id": "EV-PDB-2F5W-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "barnase-structures-native", "state_id": "Barnase-native", "who": "rule:barnase-structures-native" } ], "molecule_id": "P00648", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.001 }, "provenance": { "deposit_id": "2F5W", "doi": "10.1016/j.bbapap.2006.02.009", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2F5W" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Cross-linked barnase soaked in 3 M thiourea" }, { "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": 6.7, "salt_mM": null, "temperature_c": 24.85 }, "construct": { "description": "Ribonuclease (chains A)", "labels": [] }, "data_format": "mmCIF + NMR restraints", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2KF3", "evidence_id": "EV-PDB-2KF3-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "barnase-structures-native", "state_id": "Barnase-native", "who": "rule:barnase-structures-native" } ], "molecule_id": "P00648", "observable": { "type": "structure", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "2KF3", "doi": "10.1016/j.bpj.2009.06.022", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2KF3" }, "reader": null, "source_kind": "deposit", "technique": "nmr_structure", "title": "Barnase, low pressure reference NMR 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": 6.7, "salt_mM": null, "temperature_c": 24.85 }, "construct": { "description": "Ribonuclease (chains A)", "labels": [] }, "data_format": "mmCIF + NMR restraints", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2KF5", "evidence_id": "EV-PDB-2KF5-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "barnase-structures-native", "state_id": "Barnase-native", "who": "rule:barnase-structures-native" } ], "molecule_id": "P00648", "observable": { "type": "structure", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "2KF5", "doi": "10.1016/j.bpj.2009.06.022", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2KF5" }, "reader": null, "source_kind": "deposit", "technique": "nmr_structure", "title": "Barnase bound to d(CGAC), low pressure" }, { "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": 6.7, "salt_mM": null, "temperature_c": 24.85 }, "construct": { "description": "Ribonuclease (chains A)", "labels": [] }, "data_format": "mmCIF + NMR restraints", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2KF6", "evidence_id": "EV-PDB-2KF6-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "barnase-structures-native", "state_id": "Barnase-native", "who": "rule:barnase-structures-native" } ], "molecule_id": "P00648", "observable": { "type": "structure", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "2KF6", "doi": "10.1016/j.bpj.2009.06.022", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2KF6" }, "reader": null, "source_kind": "deposit", "technique": "nmr_structure", "title": "Barnase bound to d(CGAC) high pressure" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "CL" ], "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": -178.15 }, "construct": { "description": "Ribonuclease (chains A,C)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2ZA4", "evidence_id": "EV-PDB-2ZA4-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "barnase-structures-native", "state_id": "Barnase-native", "who": "rule:barnase-structures-native" } ], "molecule_id": "P00648", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.58 }, "provenance": { "deposit_id": "2ZA4", "doi": "10.1110/ps.073322508", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2ZA4" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal Structural Analysis of Barnase-barstar Complex" }, { "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": "Barnase circular permutant (chains A,B,E,G)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3DA7", "evidence_id": "EV-PDB-3DA7-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "barnase-structures-native", "state_id": "Barnase-native", "who": "rule:barnase-structures-native" } ], "molecule_id": "P00648", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.25 }, "provenance": { "deposit_id": "3DA7", "doi": "10.1021/bi900039e", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3DA7" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "A conformationally strained, circular permutant of barnase" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "PTD" ], "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": 3.85 }, "construct": { "description": "Ribonuclease (chains A,B,C)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3KCH", "evidence_id": "EV-PDB-3KCH-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "barnase-structures-native", "state_id": "Barnase-native", "who": "rule:barnase-structures-native" } ], "molecule_id": "P00648", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.94 }, "provenance": { "deposit_id": "3KCH", "doi": "10.1107/S1744309109054037", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3KCH" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Baranase crosslinked by glutaraldehyde" }, { "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": 6.7, "salt_mM": null, "temperature_c": 24.85 }, "construct": { "description": "Ribonuclease (chains A)", "labels": [] }, "data_format": "mmCIF + NMR restraints", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2KF4", "evidence_id": "EV-PDB-2KF4-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "barnase-structures-native", "state_id": "Barnase-native", "who": "rule:barnase-structures-native" } ], "molecule_id": "P00648", "observable": { "type": "structure", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "2KF4", "doi": "10.1016/j.bpj.2009.06.022", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2KF4" }, "reader": null, "source_kind": "deposit", "technique": "nmr_structure", "title": "Barnase high pressure 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": null, "salt_mM": null, "temperature_c": null }, "construct": { "description": "BARNASE (chains A,B,C)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1BSB", "evidence_id": "EV-PDB-1BSB-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "barnase-structures-native", "state_id": "Barnase-native", "who": "rule:barnase-structures-native" } ], "molecule_id": "P00648", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.0 }, "provenance": { "deposit_id": "1BSB", "doi": "10.1006/jmbi.1993.1630", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1BSB" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "CRYSTAL STRUCTURAL ANALYSIS OF MUTATIONS IN THE HYDROPHOBIC CORES OF BARNASE" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "SO4" ], "notes": "Entry-level ligand list; 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oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 6.5, "salt_mM": null, "temperature_c": -193.15 }, "construct": { "description": "Ribonuclease (chains A,C)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/6PQK", "evidence_id": "EV-PDB-6PQK-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "barnase-structures-native", "state_id": "Barnase-native", "who": "rule:barnase-structures-native" } ], "molecule_id": "P00648", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.2 }, "provenance": { "deposit_id": "6PQK", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/6PQK" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Cryogenic crystal structure of barnase A43C/S80C bound to barstar C40A/S59C/A67C/C82A" }, { "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": -193.15 }, "construct": { "description": "Ribonuclease (chains A,C,E)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/7MRX", "evidence_id": "EV-PDB-7MRX-1", "mappings": [ { "confidence": "medium", "justification": "Experimental structure of this small single-domain protein; deposited structures show the native fold unless the title says otherwise.", "rule": "barnase-structures-native", "state_id": "Barnase-native", "who": "rule:barnase-structures-native" } ], "molecule_id": "P00648", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.29 }, "provenance": { "deposit_id": "7MRX", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/7MRX" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Cryogenic crystal structure of barnase A43C/S80C bound to barstar C40A/C82A" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "From the first sample condition list of the entry.", "ph": 6.7, "salt_mM": null, "temperature_c": 24.85 }, "construct": { "description": "BMRB data: 1H chemical shifts", "labels": [] }, "data_format": "NMR-STAR", "data_level": "processed", "data_link": "https://bmrb.io/data_library/summary/index.php?bmrbId=16169", "evidence_id": "EV-BMRB-16169", "mappings": [ { "confidence": "low", "justification": "Chemical shift assignment of the folded protein; 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temperature is the thermostat setting.", "ph": null, "salt_mM": null, "temperature_c": 26.85 }, "construct": { "description": "start 1A2P; Amber Parm99", "labels": [] }, "data_format": "trajectory", "data_level": "processed", "data_link": "https://mmb.mddbr.eu/#/id/A003U/overview", "evidence_id": "EV-MDDB-A003U", "mappings": [ { "confidence": "low", "justification": "Simulation started from a native structure (prediction).", "rule": "barnase-md-native", "state_id": "Barnase-native", "who": "rule:barnase-md-native" } ], "molecule_id": "P00648", "observable": { "type": "trajectory", "uncertainty": null, "unit": "ns", "value": 10.0 }, "provenance": { "deposit_id": "A003U", "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/A003U/overview" }, "reader": null, "source_kind": "computed", "technique": "md", "title": "MoDEL 1A2P" }, { "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 1BGS; Amber Parm99", "labels": [] }, "data_format": "trajectory", "data_level": "processed", "data_link": "https://mmb.mddbr.eu/#/id/A006F/overview", "evidence_id": "EV-MDDB-A006F", "mappings": [ { "confidence": "low", "justification": "Simulation started from a native structure (prediction).", "rule": "barnase-md-native", "state_id": "Barnase-native", "who": "rule:barnase-md-native" } ], "molecule_id": "P00648", "observable": { "type": "trajectory", "uncertainty": null, "unit": "ns", "value": 10.0 }, "provenance": { "deposit_id": "A006F", "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/A006F/overview" }, "reader": null, "source_kind": "computed", "technique": "md", "title": "MoDEL 1BGS" } ], "models": [ { "assumptions": null, "basis": "observed", "constraints_used": [ "EV-PDB-1A2P-1" ], "file": "models/P00648/Barnase-native.cif", "format": "mmCIF", "model_id": "Barnase-native-cif", "molecule_id": "P00648", "provenance": { "deposit_id": "1A2P", "doi": "10.1107/S0907444998010865", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://files.rcsb.org/download/1A2P.cif" }, "state_id": "Barnase-native" }, { "assumptions": null, "basis": "observed", "constraints_used": [ "EV-PDB-1A2P-1" ], "file": "models/P00648/Barnase-native.pdb", "format": "PDB", "model_id": "Barnase-native-pdb", "molecule_id": "P00648", "provenance": { "deposit_id": "1A2P", "doi": "10.1107/S0907444998010865", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://files.rcsb.org/download/1A2P.pdb" }, "state_id": "Barnase-native" } ], "molecule": { "components": [], "domains": [], "gene": null, "identifiers": { "genbank": null, "isoform": null, "nakb": null, "pdb": [], "rfam": null, "rnacentral": null, "uniprot": "P00648" }, "ligands": [], "modifications": [], "molecule_id": "P00648", "molecule_type": "protein", "name": "Ribonuclease", "organism": { "name": "Bacillus amyloliquefaciens", "taxon_id": 1390 }, "provenance": { "deposit_id": "P00648", "doi": null, "licence": "CC BY 4.0 (UniProt)", "retrieved": "2026-10-19", "source": "UniProtKB", "url": "https://www.uniprot.org/uniprotkb/P00648/entry" }, "sequence": "MMKMEGIALKKRLSWISVCLLVLVSAAGMLFSTAAKTETSSHKAHTEAQVINTFDGVADYLQTYHKLPDNYITKSEAQALGWVASKGNLADVAPGKSIGGDIFSNREGKLPGKSGRTWREADINYTSGFRNSDRILYSSDWLIYKTTDHYQTFTKIR", "sequence_length": 157 }, "molecule_id": "P00648", "states": [ { "assumptions": [], "basis": "observed", "description": "Native fold of wild-type barnase, as in 1A2P (1.5 Å).", "family_label": null, "molecule_id": "P00648", "name": "native fold", "parent_state": null, "population": null, "provenance": { "deposit_id": null, "doi": null, "licence": "Project licence (pending decision)", "retrieved": "2026-10-19", "source": "Conformome curation (P00648.yaml)", "url": "https://github.com/matth55/conformome/blob/HEAD/curation/P00648.yaml" }, "representative_model": "Barnase-native-cif", "secondary_structure": null, "state_id": "Barnase-native", "status": "draft" }, { "assumptions": [ "Treated as a single ensemble; residual structure and intermediates are not resolved.", "Defined by indirect measurements (denaturation, NMR of denatured samples, force spectroscopy); no model is exported." ], "basis": "inferred", "description": "Unfolded ensemble reached by denaturant, temperature or force. No observed structure.", "family_label": null, "molecule_id": "P00648", "name": "unfolded", "parent_state": null, "population": null, "provenance": { "deposit_id": null, "doi": null, "licence": "Project licence (pending decision)", "retrieved": "2026-10-19", "source": "Conformome curation (P00648.yaml)", "url": "https://github.com/matth55/conformome/blob/HEAD/curation/P00648.yaml" }, "representative_model": null, "secondary_structure": null, "state_id": "Barnase-unfolded", "status": "draft" } ], "transitions": [] }