{ "conflicts": [], "coverage": { "cells": { "LacI-IPTG": { "af_prediction": 0, "force_spectroscopy": 0, "nmr_shifts": 0, "nmr_structure": 0, "xray": 3 }, "LacI-operator": { "af_prediction": 0, "force_spectroscopy": 0, "nmr_shifts": 3, "nmr_structure": 6, "xray": 3 } }, "data_levels": { "LacI-IPTG": { "xray": "processed" }, "LacI-operator": { "nmr_shifts": "processed", "nmr_structure": "processed", "xray": "processed" } }, "single_method_states": [ "LacI-IPTG" ], "states": [ "LacI-IPTG", "LacI-operator" ], "techniques": [ "xray", "nmr_structure", "nmr_shifts", "force_spectroscopy", "af_prediction" ], "unmapped_evidence": 34 }, "curation": { "as_of": "2026-10-19", "curator": "draft (unreviewed)", "file": "P03023.yaml", "status": "draft" }, "evidence": [ { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "NPF" ], "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": "LAC REPRESSOR (chains A,B,C)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1EFA", "evidence_id": "EV-PDB-1EFA-2", "mappings": [ { "confidence": "high", "justification": "Repressor bound to operator DNA with ONPF; representative for the operator-bound state.", "rule": "curator_assignment", "state_id": "LacI-operator", "who": "curator:draft (unreviewed)" } ], "molecule_id": "P03023", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.6 }, "provenance": { "deposit_id": "1EFA", "doi": "10.1038/78907", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1EFA" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "CRYSTAL STRUCTURE OF THE LAC REPRESSOR DIMER BOUND TO OPERATOR AND THE ANTI-INDUCER ONPF" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "1PE" ], "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": "LacI C-terminal tetramerization helix (chains A,B,C,D,E,F,G,H)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/8GOH", "evidence_id": "EV-PDB-8GOH-1", "mappings": [], "molecule_id": "P03023", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 1.1 }, "provenance": { "deposit_id": "8GOH", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/8GOH" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Homotetramic Antiparallel Coiled-Coil of 23-residues LacI C-terminal tetramerization helix" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "branched: 4-chloro-4-deoxy-alpha-D-galactopyranose-(1-2)-1,6-dichloro-1,6-dideoxy-beta-D-fructofuranose" ], "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": -173.15 }, "construct": { "description": "Lac repressor (chains A,B,C,D)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4RZT", "evidence_id": "EV-PDB-4RZT-1", "mappings": [], "molecule_id": "P03023", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 3.1 }, "provenance": { "deposit_id": "4RZT", "doi": "10.1038/nmeth.3696", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4RZT" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Lac repressor engineered to bind sucralose, sucralose-bound tetramer" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "GOL" ], "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": -173.15 }, "construct": { "description": "Lac repressor (chains A,B,C,D)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/4RZS", "evidence_id": "EV-PDB-4RZS-1", "mappings": [], "molecule_id": "P03023", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.71 }, "provenance": { "deposit_id": "4RZS", "doi": "10.1038/nmeth.3696", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/4RZS" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Lac repressor engineered to bind sucralose, unliganded tetramer" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "HEZ" ], "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": "Lactose operon repressor (chains A,B,C,D)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/3EDC", "evidence_id": "EV-PDB-3EDC-1", "mappings": [], "molecule_id": "P03023", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.1 }, "provenance": { "deposit_id": "3EDC", "doi": "10.1002/prot.22284", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/3EDC" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal Structure of a 1.6-hexanediol Bound Tetrameric Form of Escherichia coli Lac-repressor Refined to 2.1 Resolution" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "145" ], "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": "Lactose operon repressor (chains A,B,C)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2PE5", "evidence_id": "EV-PDB-2PE5-2", "mappings": [], "molecule_id": "P03023", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 3.5 }, "provenance": { "deposit_id": "2PE5", "doi": "10.1016/j.jmb.2007.04.028", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2PE5" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal Structure of the Lac Repressor bound to ONPG in repressed state" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "NPF" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 5.6, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Lactose operon repressor (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2PAF", "evidence_id": "EV-PDB-2PAF-1", "mappings": [], "molecule_id": "P03023", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 3.5 }, "provenance": { "deposit_id": "2PAF", "doi": "10.1016/j.jmb.2007.04.028", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2PAF" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "Crystal Structure of the Lactose Repressor bound to anti-inducer ONPF in induced state" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "IPT" ], "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.", "ph": 5.6, "salt_mM": null, "temperature_c": -173.15 }, "construct": { "description": "Lactose operon repressor (chains A,B)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2P9H", "evidence_id": "EV-PDB-2P9H-1", "mappings": [ { "confidence": "high", "justification": "Repressor bound to IPTG; representative for the inducer-bound state.", "rule": "curator_assignment", "state_id": "LacI-IPTG", "who": "curator:draft (unreviewed)" } ], "molecule_id": "P03023", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.0 }, "provenance": { "deposit_id": "2P9H", "doi": "10.1016/j.jmb.2007.04.028", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2P9H" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "High resolution structure of the Lactose Repressor bound to IPTG" }, { "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": 41.85 }, "construct": { "description": "Lactose operon repressor (chains A,B)", "labels": [] }, "data_format": "mmCIF + NMR restraints", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2KEK", "evidence_id": "EV-PDB-2KEK-1", "mappings": [ { "confidence": "medium", "justification": "Title names operator DNA and no inducer is bound.", "rule": "laci-operator-title", "state_id": "LacI-operator", "who": "rule:laci-operator-title" } ], "molecule_id": "P03023", "observable": { "type": "structure", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "2KEK", "doi": "10.1016/j.jmb.2009.05.022", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2KEK" }, "reader": null, "source_kind": "deposit", "technique": "nmr_structure", "title": "Solution structure of a dimer of LAC repressor DNA-binding domain complexed to its natural operator O3" }, { "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": 41.85 }, "construct": { "description": "Lactose operon repressor (chains A,B)", "labels": [] }, "data_format": "mmCIF + NMR restraints", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2KEJ", "evidence_id": "EV-PDB-2KEJ-1", "mappings": [ { "confidence": "medium", "justification": "Title names operator DNA and no inducer is bound.", "rule": "laci-operator-title", "state_id": "LacI-operator", "who": "rule:laci-operator-title" } ], "molecule_id": "P03023", "observable": { "type": "structure", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "2KEJ", "doi": "10.1016/j.jmb.2009.05.022", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2KEJ" }, "reader": null, "source_kind": "deposit", "technique": "nmr_structure", "title": "Solution structure of a dimer of LAC repressor DNA-binding domain complexed to its natural operator O2" }, { "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": 41.85 }, "construct": { "description": "Lactose operon repressor (chains A,B)", "labels": [] }, "data_format": "mmCIF + NMR restraints", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2KEI", "evidence_id": "EV-PDB-2KEI-1", "mappings": [ { "confidence": "medium", "justification": "Title names operator DNA and no inducer is bound.", "rule": "laci-operator-title", "state_id": "LacI-operator", "who": "rule:laci-operator-title" } ], "molecule_id": "P03023", "observable": { "type": "structure", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "2KEI", "doi": "10.1016/j.jmb.2009.05.022", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2KEI" }, "reader": null, "source_kind": "deposit", "technique": "nmr_structure", "title": "Refined Solution Structure of a Dimer of LAC repressor DNA-Binding domain complexed to its natural operator O1" }, { "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": 41.85 }, "construct": { "description": "LACTOSE OPERON REPRESSOR (chains A,B)", "labels": [] }, "data_format": "mmCIF + NMR restraints", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/2BJC", "evidence_id": "EV-PDB-2BJC-1", "mappings": [], "molecule_id": "P03023", "observable": { "type": "structure", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "2BJC", "doi": "10.1002/CBIC.200500049", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/2BJC" }, "reader": null, "source_kind": "deposit", "technique": "nmr_structure", "title": "NMR structure of a protein-DNA complex of an altered specificity mutant of the lac repressor headpiece that mimics the gal repressor" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "EMC", "IPT" ], "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": "LAC REPRESSOR (chains A,B,C,D)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1TLF", "evidence_id": "EV-PDB-1TLF-1", "mappings": [ { "confidence": "high", "justification": "IPTG (IPT) bound.", "rule": "laci-iptg", "state_id": "LacI-IPTG", "who": "rule:laci-iptg" } ], "molecule_id": "P03023", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.6 }, "provenance": { "deposit_id": "1TLF", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1TLF" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "UNPRECEDENTED QUATERNARY STRUCTURE OF E. COLI LAC REPRESSOR CORE TETRAMER: IMPLICATIONS FOR DNA LOOPING" }, { "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": 5.8, "salt_mM": null, "temperature_c": 26.85 }, "construct": { "description": "Lactose operon repressor (chains A,B)", "labels": [] }, "data_format": "mmCIF + NMR restraints", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1OSL", "evidence_id": "EV-PDB-1OSL-2", "mappings": [], "molecule_id": "P03023", "observable": { "type": "structure", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "1OSL", "doi": "10.1126/science.1097064", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1OSL" }, "reader": null, "source_kind": "deposit", "technique": "nmr_structure", "title": "Solution structure of a dimeric lactose DNA-binding domain complexed to a nonspecific DNA sequence" }, { "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": "LAC REPRESSOR (chains A)", "labels": [] }, "data_format": "mmCIF + NMR restraints", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1LQC", "evidence_id": "EV-PDB-1LQC-1", "mappings": [], "molecule_id": "P03023", "observable": { "type": "structure", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "1LQC", "doi": "10.1006/jmbi.1996.0356", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1LQC" }, "reader": null, "source_kind": "deposit", "technique": "nmr_structure", "title": "LAC REPRESSOR HEADPIECE (RESIDUES 1-56), NMR, 32 STRUCTURES" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "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": null }, "construct": { "description": "Lac Repressor (chains A)", "labels": [] }, "data_format": "mmCIF + NMR restraints", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1LCD", "evidence_id": "EV-PDB-1LCD-3", "mappings": [ { "confidence": "medium", "justification": "Title names operator DNA and no inducer is bound.", "rule": "laci-operator-title", "state_id": "LacI-operator", "who": "rule:laci-operator-title" } ], "molecule_id": "P03023", "observable": { "type": "structure", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "1LCD", "doi": "10.1006/jmbi.1993.1598", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1LCD" }, "reader": null, "source_kind": "deposit", "technique": "nmr_structure", "title": "STRUCTURE OF THE COMPLEX OF LAC REPRESSOR HEADPIECE AND AN 11 BASE-PAIR HALF-OPERATOR DETERMINED BY NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY AND RESTRAINED MOLECULAR DYNAMICS" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "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": null }, "construct": { "description": "Lac Repressor (chains A)", "labels": [] }, "data_format": "mmCIF + NMR restraints", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1LCC", "evidence_id": "EV-PDB-1LCC-3", "mappings": [ { "confidence": "medium", "justification": "Title names operator DNA and no inducer is bound.", "rule": "laci-operator-title", "state_id": "LacI-operator", "who": "rule:laci-operator-title" } ], "molecule_id": "P03023", "observable": { "type": "structure", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "1LCC", "doi": "10.1006/jmbi.1993.1598", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1LCC" }, "reader": null, "source_kind": "deposit", "technique": "nmr_structure", "title": "STRUCTURE OF THE COMPLEX OF LAC REPRESSOR HEADPIECE AND AN 11 BASE-PAIR HALF-OPERATOR DETERMINED BY NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY AND RESTRAINED MOLECULAR DYNAMICS" }, { "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": "LAC REPRESSOR (chains A,B,C,D)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1LBI", "evidence_id": "EV-PDB-1LBI-1", "mappings": [], "molecule_id": "P03023", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 2.7 }, "provenance": { "deposit_id": "1LBI", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1LBI" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "LAC REPRESSOR" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [ "IPT" ], "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": "INTACT LACTOSE OPERON REPRESSOR WITH GRATUITOUS INDUCER IPTG (chains A,B,C,D)", "labels": [] }, "data_format": "mmCIF + structure factors", "data_level": "processed", "data_link": "https://www.rcsb.org/structure/1LBH", "evidence_id": "EV-PDB-1LBH-1", "mappings": [ { "confidence": "high", "justification": "IPTG (IPT) bound.", "rule": "laci-iptg", "state_id": "LacI-IPTG", "who": "rule:laci-iptg" } ], "molecule_id": "P03023", "observable": { "type": "resolution", "uncertainty": null, "unit": "Å", "value": 3.2 }, "provenance": { "deposit_id": "1LBH", "doi": null, "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://www.rcsb.org/structure/1LBH" }, "reader": null, "source_kind": "deposit", "technique": "xray", "title": "INTACT LACTOSE OPERON REPRESSOR WITH GRATUITOUS INDUCER IPTG" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "Entry-level ligand list; 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Assignments of Tyrosine Resonances in the N-Terminal Headpiece" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "From the first sample condition list of the entry.", "ph": 7.8, "salt_mM": null, "temperature_c": 22.85 }, "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=849", "evidence_id": "EV-BMRB-849", "mappings": [], "molecule_id": "P03023", "observable": { "type": "chemical_shift", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "bmr849", "doi": "10.13018/BMR849", "licence": "CC0 1.0 (verify)", "retrieved": "2026-10-19", "source": "BMRB", "url": "https://bmrb.io/data_library/summary/index.php?bmrbId=849" }, "reader": null, "source_kind": "deposit", "technique": "nmr_shifts", "title": "High-Resolution Nuclear Magnetic Resonance Studies of the Lac Repressor. 2. Partial Analysis of the Aliphatic Region of the Lac Repressor Headpiece Spectrum" }, { "conditions": { "applied_force_pn": null, "buffer": null, "environment": "in_vitro", "ions": [], "ligands": [], "notes": "From the first sample condition list of the entry.", "ph": 4.95, "salt_mM": null, "temperature_c": 17.85 }, "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=96", "evidence_id": "EV-BMRB-96", "mappings": [], "molecule_id": "P03023", "observable": { "type": "chemical_shift", "uncertainty": null, "unit": null, "value": null }, "provenance": { "deposit_id": "bmr96", "doi": "10.13018/BMR96", "licence": "CC0 1.0 (verify)", "retrieved": "2026-10-19", "source": "BMRB", "url": "https://bmrb.io/data_library/summary/index.php?bmrbId=96" }, "reader": null, "source_kind": "deposit", "technique": "nmr_shifts", "title": "Sequence-specific resonance assignments in the 1H nuclear-magnetic-resonance spectrum of the Lac repressor DNA-binding domain 1-51 from Escherichia coli by two-dimensional spectroscopy" }, { "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 1-360", "labels": [] }, "data_format": "mmCIF, PAE JSON", "data_level": "processed", "data_link": "https://alphafold.ebi.ac.uk/entry/P03023", "evidence_id": "EV-AFDB-AF-P03023-F1", "mappings": [], "molecule_id": "P03023", "observable": { "type": "plddt", "uncertainty": null, "unit": "pLDDT", "value": 93.69 }, "provenance": { "deposit_id": "AF-P03023-F1", "doi": null, "licence": "CC BY 4.0", "retrieved": "2026-10-19", "source": "AlphaFold DB", "url": "https://alphafold.ebi.ac.uk/entry/P03023" }, "reader": null, "source_kind": "computed", "technique": "af_prediction", "title": "AlphaFold DB prediction AF-P03023-F1" } ], "models": [ { "assumptions": null, "basis": "observed", "constraints_used": [ "EV-PDB-2P9H-1" ], "file": "models/P03023/LacI-IPTG.cif", "format": "mmCIF", "model_id": "LacI-IPTG-cif", "molecule_id": "P03023", "provenance": { "deposit_id": "2P9H", "doi": "10.1016/j.jmb.2007.04.028", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://files.rcsb.org/download/2P9H.cif" }, "state_id": "LacI-IPTG" }, { "assumptions": null, "basis": "observed", "constraints_used": [ "EV-PDB-2P9H-1" ], "file": "models/P03023/LacI-IPTG.pdb", "format": "PDB", "model_id": "LacI-IPTG-pdb", "molecule_id": "P03023", "provenance": { "deposit_id": "2P9H", "doi": "10.1016/j.jmb.2007.04.028", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://files.rcsb.org/download/2P9H.pdb" }, "state_id": "LacI-IPTG" }, { "assumptions": null, "basis": "observed", "constraints_used": [ "EV-PDB-1EFA-2" ], "file": "models/P03023/LacI-operator.cif", "format": "mmCIF", "model_id": "LacI-operator-cif", "molecule_id": "P03023", "provenance": { "deposit_id": "1EFA", "doi": "10.1038/78907", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://files.rcsb.org/download/1EFA.cif" }, "state_id": "LacI-operator" }, { "assumptions": null, "basis": "observed", "constraints_used": [ "EV-PDB-1EFA-2" ], "file": "models/P03023/LacI-operator.pdb", "format": "PDB", "model_id": "LacI-operator-pdb", "molecule_id": "P03023", "provenance": { "deposit_id": "1EFA", "doi": "10.1038/78907", "licence": "CC0 1.0 (wwPDB archive data)", "retrieved": "2026-10-19", "source": "RCSB PDB", "url": "https://files.rcsb.org/download/1EFA.pdb" }, "state_id": "LacI-operator" } ], "molecule": { "components": [], "domains": [ { "end": 58, "name": "HTH lacI-type", "start": 1 } ], "gene": "lacI", "identifiers": { "genbank": null, "isoform": null, "nakb": null, "pdb": [], "rfam": null, "rnacentral": null, "uniprot": "P03023" }, "ligands": [], "modifications": [], "molecule_id": "P03023", "molecule_type": "protein", "name": "Lactose operon repressor", "organism": { "name": "Escherichia coli (strain K12)", "taxon_id": 83333 }, "provenance": { "deposit_id": "P03023", "doi": null, "licence": "CC BY 4.0 (UniProt)", "retrieved": "2026-10-19", "source": "UniProtKB", "url": "https://www.uniprot.org/uniprotkb/P03023/entry" }, "sequence": "MKPVTLYDVAEYAGVSYQTVSRVVNQASHVSAKTREKVEAAMAELNYIPNRVAQQLAGKQSLLIGVATSSLALHAPSQIVAAIKSRADQLGASVVVSMVERSGVEACKAAVHNLLAQRVSGLIINYPLDDQDAIAVEAACTNVPALFLDVSDQTPINSIIFSHEDGTRLGVEHLVALGHQQIALLAGPLSSVSARLRLAGWHKYLTRNQIQPIAEREGDWSAMSGFQQTMQMLNEGIVPTAMLVANDQMALGAMRAITESGLRVGADISVVGYDDTEDSSCYIPPLTTIKQDFRLLGQTSVDRLLQLSQGQAVKGNQLLPVSLVKRKTTLAPNTQTASPRALADSLMQLARQVSRLESGQ", "sequence_length": 360 }, "molecule_id": "P03023", "states": [ { "assumptions": [], "basis": "observed", "description": "Repressor bound to the gratuitous inducer IPTG, as in 2P9H.", "family_label": null, "molecule_id": "P03023", "name": "inducer-bound (IPTG)", "parent_state": null, "population": null, "provenance": { "deposit_id": null, "doi": null, "licence": "Project licence (pending decision)", "retrieved": "2026-10-19", "source": "Conformome curation (P03023.yaml)", "url": "https://github.com/matth55/conformome/blob/HEAD/curation/P03023.yaml" }, "representative_model": "LacI-IPTG-cif", "secondary_structure": null, "state_id": "LacI-IPTG", "status": "draft" }, { "assumptions": [], "basis": "observed", "description": "Repressor dimer bound to operator DNA with the anti-inducer ONPF, as in 1EFA.", "family_label": null, "molecule_id": "P03023", "name": "operator DNA-bound", "parent_state": null, "population": null, "provenance": { "deposit_id": null, "doi": null, "licence": "Project licence (pending decision)", "retrieved": "2026-10-19", "source": "Conformome curation (P03023.yaml)", "url": "https://github.com/matth55/conformome/blob/HEAD/curation/P03023.yaml" }, "representative_model": "LacI-operator-cif", "secondary_structure": null, "state_id": "LacI-operator", "status": "draft" } ], "transitions": [] }