{
  "conflicts": [],
  "coverage": {
    "cells": {
      "ADK-closed": {
        "af_prediction": 0,
        "force_spectroscopy": 0,
        "xray": 16
      },
      "ADK-open": {
        "af_prediction": 0,
        "force_spectroscopy": 0,
        "xray": 3
      }
    },
    "data_levels": {
      "ADK-closed": {
        "xray": "processed"
      },
      "ADK-open": {
        "xray": "processed"
      }
    },
    "single_method_states": [
      "ADK-open",
      "ADK-closed"
    ],
    "states": [
      "ADK-open",
      "ADK-closed"
    ],
    "techniques": [
      "xray",
      "force_spectroscopy",
      "af_prediction"
    ],
    "unmapped_evidence": 12
  },
  "curation": {
    "as_of": "2026-10-19",
    "curator": "draft (unreviewed)",
    "file": "P69441.yaml",
    "status": "draft"
  },
  "evidence": [
    {
      "conditions": {
        "applied_force_pn": null,
        "buffer": null,
        "environment": "in_vitro",
        "ions": [],
        "ligands": [
          "AP5"
        ],
        "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": "ADENYLATE KINASE (chains A,B)",
        "labels": []
      },
      "data_format": "mmCIF + structure factors",
      "data_level": "processed",
      "data_link": "https://www.rcsb.org/structure/1AKE",
      "evidence_id": "EV-PDB-1AKE-1",
      "mappings": [
        {
          "confidence": "high",
          "justification": "Ap5A-bound structure with closed LID and NMP domains; representative for ADK-closed.",
          "rule": "curator_assignment",
          "state_id": "ADK-closed",
          "who": "curator:draft (unreviewed)"
        }
      ],
      "molecule_id": "P69441",
      "observable": {
        "type": "resolution",
        "uncertainty": null,
        "unit": "Å",
        "value": 2.0
      },
      "provenance": {
        "deposit_id": "1AKE",
        "doi": "10.1016/0022-2836(92)90582-5",
        "licence": "CC0 1.0 (wwPDB archive data)",
        "retrieved": "2026-10-19",
        "source": "RCSB PDB",
        "url": "https://www.rcsb.org/structure/1AKE"
      },
      "reader": null,
      "source_kind": "deposit",
      "technique": "xray",
      "title": "STRUCTURE OF THE COMPLEX BETWEEN ADENYLATE KINASE FROM ESCHERICHIA COLI AND THE INHIBITOR AP5A REFINED AT 1.9 ANGSTROMS RESOLUTION: A MODEL FOR A CATALYTIC TRANSITION STATE"
    },
    {
      "conditions": {
        "applied_force_pn": null,
        "buffer": null,
        "environment": "in_vitro",
        "ions": [],
        "ligands": [
          "AP5"
        ],
        "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": 5.85
      },
      "construct": {
        "description": "Adenylate kinase (chains A,B)",
        "labels": []
      },
      "data_format": "mmCIF + structure factors",
      "data_level": "processed",
      "data_link": "https://www.rcsb.org/structure/1E4V",
      "evidence_id": "EV-PDB-1E4V-1",
      "mappings": [
        {
          "confidence": "medium",
          "justification": "Bisubstrate inhibitor Ap5A (AP5) bound; it closes the LID and NMP domains.",
          "rule": "adk-ap5a-closed",
          "state_id": "ADK-closed",
          "who": "rule:adk-ap5a-closed"
        }
      ],
      "molecule_id": "P69441",
      "observable": {
        "type": "resolution",
        "uncertainty": null,
        "unit": "Å",
        "value": 1.85
      },
      "provenance": {
        "deposit_id": "1E4V",
        "doi": "10.1002/prot.340150106",
        "licence": "CC0 1.0 (wwPDB archive data)",
        "retrieved": "2026-10-19",
        "source": "RCSB PDB",
        "url": "https://www.rcsb.org/structure/1E4V"
      },
      "reader": null,
      "source_kind": "deposit",
      "technique": "xray",
      "title": "Mutant G10V of adenylate kinase from E. coli, modified in the Gly-loop"
    },
    {
      "conditions": {
        "applied_force_pn": null,
        "buffer": null,
        "environment": "in_vitro",
        "ions": [],
        "ligands": [
          "AP5"
        ],
        "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.",
        "ph": 7.2,
        "salt_mM": null,
        "temperature_c": 5.85
      },
      "construct": {
        "description": "Adenylate kinase (chains A,B)",
        "labels": []
      },
      "data_format": "mmCIF + structure factors",
      "data_level": "processed",
      "data_link": "https://www.rcsb.org/structure/1E4Y",
      "evidence_id": "EV-PDB-1E4Y-1",
      "mappings": [
        {
          "confidence": "medium",
          "justification": "Bisubstrate inhibitor Ap5A (AP5) bound; it closes the LID and NMP domains.",
          "rule": "adk-ap5a-closed",
          "state_id": "ADK-closed",
          "who": "rule:adk-ap5a-closed"
        }
      ],
      "molecule_id": "P69441",
      "observable": {
        "type": "resolution",
        "uncertainty": null,
        "unit": "Å",
        "value": 1.85
      },
      "provenance": {
        "deposit_id": "1E4Y",
        "doi": "10.1002/prot.340150106",
        "licence": "CC0 1.0 (wwPDB archive data)",
        "retrieved": "2026-10-19",
        "source": "RCSB PDB",
        "url": "https://www.rcsb.org/structure/1E4Y"
      },
      "reader": null,
      "source_kind": "deposit",
      "technique": "xray",
      "title": "Mutant P9L of adenylate kinase from E. coli, modified in the Gly-loop"
    },
    {
      "conditions": {
        "applied_force_pn": null,
        "buffer": null,
        "environment": "in_vitro",
        "ions": [],
        "ligands": [
          "ADP",
          "AMP"
        ],
        "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": 19.85
      },
      "construct": {
        "description": "ADENYLATE KINASE (chains A,B)",
        "labels": []
      },
      "data_format": "mmCIF + structure factors",
      "data_level": "processed",
      "data_link": "https://www.rcsb.org/structure/2ECK",
      "evidence_id": "EV-PDB-2ECK-1",
      "mappings": [],
      "molecule_id": "P69441",
      "observable": {
        "type": "resolution",
        "uncertainty": null,
        "unit": "Å",
        "value": 2.8
      },
      "provenance": {
        "deposit_id": "2ECK",
        "doi": "10.1002/prot.20699",
        "licence": "CC0 1.0 (wwPDB archive data)",
        "retrieved": "2026-10-19",
        "source": "RCSB PDB",
        "url": "https://www.rcsb.org/structure/2ECK"
      },
      "reader": null,
      "source_kind": "deposit",
      "technique": "xray",
      "title": "STRUCTURE OF PHOSPHOTRANSFERASE"
    },
    {
      "conditions": {
        "applied_force_pn": null,
        "buffer": null,
        "environment": "in_vitro",
        "ions": [],
        "ligands": [
          "AP5"
        ],
        "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": "Adenylate kinase (chains A,B)",
        "labels": []
      },
      "data_format": "mmCIF + structure factors",
      "data_level": "processed",
      "data_link": "https://www.rcsb.org/structure/3HPQ",
      "evidence_id": "EV-PDB-3HPQ-1",
      "mappings": [
        {
          "confidence": "medium",
          "justification": "Bisubstrate inhibitor Ap5A (AP5) bound; it closes the LID and NMP domains.",
          "rule": "adk-ap5a-closed",
          "state_id": "ADK-closed",
          "who": "rule:adk-ap5a-closed"
        }
      ],
      "molecule_id": "P69441",
      "observable": {
        "type": "resolution",
        "uncertainty": null,
        "unit": "Å",
        "value": 2.0
      },
      "provenance": {
        "deposit_id": "3HPQ",
        "doi": "10.1073/pnas.0906510106",
        "licence": "CC0 1.0 (wwPDB archive data)",
        "retrieved": "2026-10-19",
        "source": "RCSB PDB",
        "url": "https://www.rcsb.org/structure/3HPQ"
      },
      "reader": null,
      "source_kind": "deposit",
      "technique": "xray",
      "title": "Crystal structure of wild-type adenylate kinase from E. coli, in complex with Ap5A"
    },
    {
      "conditions": {
        "applied_force_pn": null,
        "buffer": null,
        "environment": "in_vitro",
        "ions": [],
        "ligands": [
          "AP5"
        ],
        "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": "Adenylate kinase (chains A,B)",
        "labels": []
      },
      "data_format": "mmCIF + structure factors",
      "data_level": "processed",
      "data_link": "https://www.rcsb.org/structure/3HPR",
      "evidence_id": "EV-PDB-3HPR-1",
      "mappings": [
        {
          "confidence": "medium",
          "justification": "Bisubstrate inhibitor Ap5A (AP5) bound; it closes the LID and NMP domains.",
          "rule": "adk-ap5a-closed",
          "state_id": "ADK-closed",
          "who": "rule:adk-ap5a-closed"
        }
      ],
      "molecule_id": "P69441",
      "observable": {
        "type": "resolution",
        "uncertainty": null,
        "unit": "Å",
        "value": 2.0
      },
      "provenance": {
        "deposit_id": "3HPR",
        "doi": "10.1073/pnas.0906510106",
        "licence": "CC0 1.0 (wwPDB archive data)",
        "retrieved": "2026-10-19",
        "source": "RCSB PDB",
        "url": "https://www.rcsb.org/structure/3HPR"
      },
      "reader": null,
      "source_kind": "deposit",
      "technique": "xray",
      "title": "Crystal structure of V148G adenylate kinase from E. coli, in complex with Ap5A"
    },
    {
      "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": "ADENYLATE KINASE (chains A,B)",
        "labels": []
      },
      "data_format": "mmCIF + structure factors",
      "data_level": "processed",
      "data_link": "https://www.rcsb.org/structure/4AKE",
      "evidence_id": "EV-PDB-4AKE-1",
      "mappings": [
        {
          "confidence": "high",
          "justification": "Apo structure with open LID and NMP domains; representative for ADK-open. Domain assignment to be confirmed by the curator.",
          "rule": "curator_assignment",
          "state_id": "ADK-open",
          "who": "curator:draft (unreviewed)"
        }
      ],
      "molecule_id": "P69441",
      "observable": {
        "type": "resolution",
        "uncertainty": null,
        "unit": "Å",
        "value": 2.2
      },
      "provenance": {
        "deposit_id": "4AKE",
        "doi": "10.1016/S0969-2126(96)00018-4",
        "licence": "CC0 1.0 (wwPDB archive data)",
        "retrieved": "2026-10-19",
        "source": "RCSB PDB",
        "url": "https://www.rcsb.org/structure/4AKE"
      },
      "reader": null,
      "source_kind": "deposit",
      "technique": "xray",
      "title": "ADENYLATE KINASE"
    },
    {
      "conditions": {
        "applied_force_pn": null,
        "buffer": null,
        "environment": "in_vitro",
        "ions": [],
        "ligands": [
          "AP5",
          "MG",
          "NA"
        ],
        "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.",
        "ph": 8.5,
        "salt_mM": null,
        "temperature_c": -173.15
      },
      "construct": {
        "description": "Adenylate kinase (chains A,B)",
        "labels": []
      },
      "data_format": "mmCIF + structure factors",
      "data_level": "processed",
      "data_link": "https://www.rcsb.org/structure/4X8L",
      "evidence_id": "EV-PDB-4X8L-1",
      "mappings": [
        {
          "confidence": "medium",
          "justification": "Bisubstrate inhibitor Ap5A (AP5) bound; it closes the LID and NMP domains.",
          "rule": "adk-ap5a-closed",
          "state_id": "ADK-closed",
          "who": "rule:adk-ap5a-closed"
        }
      ],
      "molecule_id": "P69441",
      "observable": {
        "type": "resolution",
        "uncertainty": null,
        "unit": "Å",
        "value": 1.7
      },
      "provenance": {
        "deposit_id": "4X8L",
        "doi": "10.1038/ncomms8644",
        "licence": "CC0 1.0 (wwPDB archive data)",
        "retrieved": "2026-10-19",
        "source": "RCSB PDB",
        "url": "https://www.rcsb.org/structure/4X8L"
      },
      "reader": null,
      "source_kind": "deposit",
      "technique": "xray",
      "title": "Crystal structure of E. coli Adenylate kinase P177A mutant in complex with inhibitor Ap5a"
    },
    {
      "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": "Adenylate kinase (chains A)",
        "labels": []
      },
      "data_format": "mmCIF + structure factors",
      "data_level": "processed",
      "data_link": "https://www.rcsb.org/structure/4X8M",
      "evidence_id": "EV-PDB-4X8M-1",
      "mappings": [
        {
          "confidence": "low",
          "justification": "Crystal structure with no ligand; apo E. coli ADK crystallises open, but this is not checked per entry.",
          "rule": "adk-apo-open",
          "state_id": "ADK-open",
          "who": "rule:adk-apo-open"
        }
      ],
      "molecule_id": "P69441",
      "observable": {
        "type": "resolution",
        "uncertainty": null,
        "unit": "Å",
        "value": 2.6
      },
      "provenance": {
        "deposit_id": "4X8M",
        "doi": "10.1038/ncomms8644",
        "licence": "CC0 1.0 (wwPDB archive data)",
        "retrieved": "2026-10-19",
        "source": "RCSB PDB",
        "url": "https://www.rcsb.org/structure/4X8M"
      },
      "reader": null,
      "source_kind": "deposit",
      "technique": "xray",
      "title": "Crystal structure of E. coli Adenylate kinase Y171W mutant"
    },
    {
      "conditions": {
        "applied_force_pn": null,
        "buffer": null,
        "environment": "in_vitro",
        "ions": [],
        "ligands": [
          "AP5",
          "MG",
          "NA"
        ],
        "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.",
        "ph": 6.0,
        "salt_mM": null,
        "temperature_c": -173.15
      },
      "construct": {
        "description": "Adenylate kinase (chains A,B)",
        "labels": []
      },
      "data_format": "mmCIF + structure factors",
      "data_level": "processed",
      "data_link": "https://www.rcsb.org/structure/4X8O",
      "evidence_id": "EV-PDB-4X8O-1",
      "mappings": [
        {
          "confidence": "medium",
          "justification": "Bisubstrate inhibitor Ap5A (AP5) bound; it closes the LID and NMP domains.",
          "rule": "adk-ap5a-closed",
          "state_id": "ADK-closed",
          "who": "rule:adk-ap5a-closed"
        }
      ],
      "molecule_id": "P69441",
      "observable": {
        "type": "resolution",
        "uncertainty": null,
        "unit": "Å",
        "value": 2.1
      },
      "provenance": {
        "deposit_id": "4X8O",
        "doi": "10.1038/ncomms8644",
        "licence": "CC0 1.0 (wwPDB archive data)",
        "retrieved": "2026-10-19",
        "source": "RCSB PDB",
        "url": "https://www.rcsb.org/structure/4X8O"
      },
      "reader": null,
      "source_kind": "deposit",
      "technique": "xray",
      "title": "Crystal structure of E. coli Adenylate kinase Y171W mutant in complex with inhibitor Ap5a"
    },
    {
      "conditions": {
        "applied_force_pn": null,
        "buffer": null,
        "environment": "in_vitro",
        "ions": [],
        "ligands": [
          "AP5",
          "CO"
        ],
        "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": -173.15
      },
      "construct": {
        "description": "Adenylate kinase (chains A,B)",
        "labels": []
      },
      "data_format": "mmCIF + structure factors",
      "data_level": "processed",
      "data_link": "https://www.rcsb.org/structure/5EJE",
      "evidence_id": "EV-PDB-5EJE-1",
      "mappings": [
        {
          "confidence": "medium",
          "justification": "Bisubstrate inhibitor Ap5A (AP5) bound; it closes the LID and NMP domains.",
          "rule": "adk-ap5a-closed",
          "state_id": "ADK-closed",
          "who": "rule:adk-ap5a-closed"
        }
      ],
      "molecule_id": "P69441",
      "observable": {
        "type": "resolution",
        "uncertainty": null,
        "unit": "Å",
        "value": 1.9
      },
      "provenance": {
        "deposit_id": "5EJE",
        "doi": "10.1073/pnas.1700919114",
        "licence": "CC0 1.0 (wwPDB archive data)",
        "retrieved": "2026-10-19",
        "source": "RCSB PDB",
        "url": "https://www.rcsb.org/structure/5EJE"
      },
      "reader": null,
      "source_kind": "deposit",
      "technique": "xray",
      "title": "Crystal structure of E. coli Adenylate kinase G56C/T163C double mutant in complex with Ap5a"
    },
    {
      "conditions": {
        "applied_force_pn": null,
        "buffer": null,
        "environment": "in_vitro",
        "ions": [],
        "ligands": [
          "GCP",
          "MG"
        ],
        "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": "Adenylate kinase (chains A)",
        "labels": []
      },
      "data_format": "mmCIF + structure factors",
      "data_level": "processed",
      "data_link": "https://www.rcsb.org/structure/6F7U",
      "evidence_id": "EV-PDB-6F7U-1",
      "mappings": [],
      "molecule_id": "P69441",
      "observable": {
        "type": "resolution",
        "uncertainty": null,
        "unit": "Å",
        "value": 1.4
      },
      "provenance": {
        "deposit_id": "6F7U",
        "doi": "10.1073/pnas.1721508115",
        "licence": "CC0 1.0 (wwPDB archive data)",
        "retrieved": "2026-10-19",
        "source": "RCSB PDB",
        "url": "https://www.rcsb.org/structure/6F7U"
      },
      "reader": null,
      "source_kind": "deposit",
      "technique": "xray",
      "title": "Molecular Mechanism of ATP versus GTP Selectivity of Adenylate Kinase"
    },
    {
      "conditions": {
        "applied_force_pn": null,
        "buffer": null,
        "environment": "in_vitro",
        "ions": [],
        "ligands": [
          "CL",
          "NA"
        ],
        "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": "Adenylate kinase (chains A)",
        "labels": []
      },
      "data_format": "mmCIF + structure factors",
      "data_level": "processed",
      "data_link": "https://www.rcsb.org/structure/6RZE",
      "evidence_id": "EV-PDB-6RZE-1",
      "mappings": [],
      "molecule_id": "P69441",
      "observable": {
        "type": "resolution",
        "uncertainty": null,
        "unit": "Å",
        "value": 1.69
      },
      "provenance": {
        "deposit_id": "6RZE",
        "doi": "10.1021/acs.biochem.9b00538",
        "licence": "CC0 1.0 (wwPDB archive data)",
        "retrieved": "2026-10-19",
        "source": "RCSB PDB",
        "url": "https://www.rcsb.org/structure/6RZE"
      },
      "reader": null,
      "source_kind": "deposit",
      "technique": "xray",
      "title": "Crystal structure of E. coli Adenylate kinase R119A mutant"
    },
    {
      "conditions": {
        "applied_force_pn": null,
        "buffer": null,
        "environment": "in_vitro",
        "ions": [],
        "ligands": [
          "CL",
          "MG",
          "NA"
        ],
        "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.",
        "ph": 8.5,
        "salt_mM": null,
        "temperature_c": -173.15
      },
      "construct": {
        "description": "Adenylate kinase (chains A)",
        "labels": []
      },
      "data_format": "mmCIF + structure factors",
      "data_level": "processed",
      "data_link": "https://www.rcsb.org/structure/6S36",
      "evidence_id": "EV-PDB-6S36-1",
      "mappings": [],
      "molecule_id": "P69441",
      "observable": {
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        "uncertainty": null,
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          "NA"
        ],
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      },
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        ],
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        "temperature_c": -173.15
      },
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      },
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        {
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        ],
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        "temperature_c": -173.15
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        "temperature_c": -173.15
      },
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      },
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        {
          "confidence": "medium",
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        ],
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        "salt_mM": null,
        "temperature_c": -173.15
      },
      "construct": {
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        "labels": []
      },
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      "source_kind": "deposit",
      "technique": "xray",
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          "AMP",
          "ATP",
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        "temperature_c": -173.15
      },
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        "description": "Adenylate kinase (chains A,B)",
        "labels": []
      },
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      "source_kind": "deposit",
      "technique": "xray",
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    },
    {
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        "applied_force_pn": null,
        "buffer": null,
        "environment": "in_vitro",
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        ],
        "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
      },
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        "labels": []
      },
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      },
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        "doi": "10.1126/sciadv.ado5504",
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      "technique": "xray",
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        "temperature_c": -173.15
      },
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      },
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      "evidence_id": "EV-PDB-9R6U-1",
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        {
          "confidence": "medium",
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          "state_id": "ADK-closed",
          "who": "rule:adk-ap5a-closed"
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      "technique": "xray",
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        ],
        "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.",
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        "salt_mM": null,
        "temperature_c": -173.15
      },
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      },
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      "mappings": [
        {
          "confidence": "medium",
          "justification": "Bisubstrate inhibitor Ap5A (AP5) bound; it closes the LID and NMP domains.",
          "rule": "adk-ap5a-closed",
          "state_id": "ADK-closed",
          "who": "rule:adk-ap5a-closed"
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      "source_kind": "deposit",
      "technique": "xray",
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          "MG"
        ],
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        "ph": null,
        "salt_mM": null,
        "temperature_c": -173.15
      },
      "construct": {
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        "labels": []
      },
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      "data_level": "processed",
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      "evidence_id": "EV-PDB-9L14-1",
      "mappings": [
        {
          "confidence": "medium",
          "justification": "Bisubstrate inhibitor Ap5A (AP5) bound; it closes the LID and NMP domains.",
          "rule": "adk-ap5a-closed",
          "state_id": "ADK-closed",
          "who": "rule:adk-ap5a-closed"
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      "source_kind": "deposit",
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    {
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        ],
        "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": "Adenylate kinase (chains A)",
        "labels": []
      },
      "data_format": "mmCIF + structure factors",
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      "data_link": "https://www.rcsb.org/structure/8PVW",
      "evidence_id": "EV-PDB-8PVW-1",
      "mappings": [
        {
          "confidence": "medium",
          "justification": "Bisubstrate inhibitor Ap5A (AP5) bound; it closes the LID and NMP domains.",
          "rule": "adk-ap5a-closed",
          "state_id": "ADK-closed",
          "who": "rule:adk-ap5a-closed"
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        ],
        "notes": "Entry-level ligand list; oligosaccharides appear as branched entities. pH and temperature are null when not deposited in machine-readable fields.",
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        "temperature_c": -173.15
      },
      "construct": {
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      },
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      "data_level": "processed",
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      "evidence_id": "EV-PDB-6HAP-1",
      "mappings": [
        {
          "confidence": "medium",
          "justification": "Bisubstrate inhibitor Ap5A (AP5) bound; it closes the LID and NMP domains.",
          "rule": "adk-ap5a-closed",
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      "source_kind": "deposit",
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    {
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          "AP5"
        ],
        "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": "Adenylate kinase (chains A)",
        "labels": []
      },
      "data_format": "mmCIF + structure factors",
      "data_level": "processed",
      "data_link": "https://www.rcsb.org/structure/6HAM",
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      "mappings": [
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          "confidence": "medium",
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          "rule": "adk-ap5a-closed",
          "state_id": "ADK-closed",
          "who": "rule:adk-ap5a-closed"
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      "source_kind": "deposit",
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    {
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        "environment": "in_vitro",
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        "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": "Adenylate kinase (chains A)",
        "labels": []
      },
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      "mappings": [
        {
          "confidence": "low",
          "justification": "Crystal structure with no ligand; apo E. coli ADK crystallises open, but this is not checked per entry.",
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          "state_id": "ADK-open",
          "who": "rule:adk-apo-open"
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      "source_kind": "deposit",
      "technique": "xray",
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    {
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        "applied_force_pn": null,
        "buffer": null,
        "environment": "in_vitro",
        "ions": [],
        "ligands": [
          "AMP",
          "ANP"
        ],
        "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": "ADENYLATE KINASE (chains A,B)",
        "labels": []
      },
      "data_format": "mmCIF + structure factors",
      "data_level": "processed",
      "data_link": "https://www.rcsb.org/structure/1ANK",
      "evidence_id": "EV-PDB-1ANK-1",
      "mappings": [],
      "molecule_id": "P69441",
      "observable": {
        "type": "resolution",
        "uncertainty": null,
        "unit": "Å",
        "value": 2.0
      },
      "provenance": {
        "deposit_id": "1ANK",
        "doi": "10.1002/prot.340190304",
        "licence": "CC0 1.0 (wwPDB archive data)",
        "retrieved": "2026-10-19",
        "source": "RCSB PDB",
        "url": "https://www.rcsb.org/structure/1ANK"
      },
      "reader": null,
      "source_kind": "deposit",
      "technique": "xray",
      "title": "THE CLOSED CONFORMATION OF A HIGHLY FLEXIBLE PROTEIN: THE STRUCTURE OF E. COLI ADENYLATE KINASE WITH BOUND AMP AND AMPPNP"
    },
    {
      "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 1-214",
        "labels": []
      },
      "data_format": "mmCIF, PAE JSON",
      "data_level": "processed",
      "data_link": "https://alphafold.ebi.ac.uk/entry/P69441",
      "evidence_id": "EV-AFDB-AF-P69441-F1",
      "mappings": [],
      "molecule_id": "P69441",
      "observable": {
        "type": "plddt",
        "uncertainty": null,
        "unit": "pLDDT",
        "value": 95.94
      },
      "provenance": {
        "deposit_id": "AF-P69441-F1",
        "doi": null,
        "licence": "CC BY 4.0",
        "retrieved": "2026-10-19",
        "source": "AlphaFold DB",
        "url": "https://alphafold.ebi.ac.uk/entry/P69441"
      },
      "reader": null,
      "source_kind": "computed",
      "technique": "af_prediction",
      "title": "AlphaFold DB prediction AF-P69441-F1"
    }
  ],
  "models": [
    {
      "assumptions": null,
      "basis": "observed",
      "constraints_used": [
        "EV-PDB-4AKE-1"
      ],
      "file": "models/P69441/ADK-open.cif",
      "format": "mmCIF",
      "model_id": "ADK-open-cif",
      "molecule_id": "P69441",
      "provenance": {
        "deposit_id": "4AKE",
        "doi": "10.1016/S0969-2126(96)00018-4",
        "licence": "CC0 1.0 (wwPDB archive data)",
        "retrieved": "2026-10-19",
        "source": "RCSB PDB",
        "url": "https://files.rcsb.org/download/4AKE.cif"
      },
      "state_id": "ADK-open"
    },
    {
      "assumptions": null,
      "basis": "observed",
      "constraints_used": [
        "EV-PDB-4AKE-1"
      ],
      "file": "models/P69441/ADK-open.pdb",
      "format": "PDB",
      "model_id": "ADK-open-pdb",
      "molecule_id": "P69441",
      "provenance": {
        "deposit_id": "4AKE",
        "doi": "10.1016/S0969-2126(96)00018-4",
        "licence": "CC0 1.0 (wwPDB archive data)",
        "retrieved": "2026-10-19",
        "source": "RCSB PDB",
        "url": "https://files.rcsb.org/download/4AKE.pdb"
      },
      "state_id": "ADK-open"
    },
    {
      "assumptions": null,
      "basis": "observed",
      "constraints_used": [
        "EV-PDB-1AKE-1"
      ],
      "file": "models/P69441/ADK-closed.cif",
      "format": "mmCIF",
      "model_id": "ADK-closed-cif",
      "molecule_id": "P69441",
      "provenance": {
        "deposit_id": "1AKE",
        "doi": "10.1016/0022-2836(92)90582-5",
        "licence": "CC0 1.0 (wwPDB archive data)",
        "retrieved": "2026-10-19",
        "source": "RCSB PDB",
        "url": "https://files.rcsb.org/download/1AKE.cif"
      },
      "state_id": "ADK-closed"
    },
    {
      "assumptions": null,
      "basis": "observed",
      "constraints_used": [
        "EV-PDB-1AKE-1"
      ],
      "file": "models/P69441/ADK-closed.pdb",
      "format": "PDB",
      "model_id": "ADK-closed-pdb",
      "molecule_id": "P69441",
      "provenance": {
        "deposit_id": "1AKE",
        "doi": "10.1016/0022-2836(92)90582-5",
        "licence": "CC0 1.0 (wwPDB archive data)",
        "retrieved": "2026-10-19",
        "source": "RCSB PDB",
        "url": "https://files.rcsb.org/download/1AKE.pdb"
      },
      "state_id": "ADK-closed"
    }
  ],
  "molecule": {
    "components": [],
    "domains": [],
    "gene": "adk",
    "identifiers": {
      "genbank": null,
      "isoform": null,
      "nakb": null,
      "pdb": [],
      "rfam": null,
      "rnacentral": null,
      "uniprot": "P69441"
    },
    "ligands": [
      "AMP",
      "ATP"
    ],
    "modifications": [
      {
        "kind": "ptm",
        "name": "N6-acetyllysine",
        "position": 192,
        "source": "UniProtKB"
      }
    ],
    "molecule_id": "P69441",
    "molecule_type": "protein",
    "name": "Adenylate kinase",
    "organism": {
      "name": "Escherichia coli (strain K12)",
      "taxon_id": 83333
    },
    "provenance": {
      "deposit_id": "P69441",
      "doi": null,
      "licence": "CC BY 4.0 (UniProt)",
      "retrieved": "2026-10-19",
      "source": "UniProtKB",
      "url": "https://www.uniprot.org/uniprotkb/P69441/entry"
    },
    "sequence": "MRIILLGAPGAGKGTQAQFIMEKYGIPQISTGDMLRAAVKSGSELGKQAKDIMDAGKLVTDELVIALVKERIAQEDCRNGFLLDGFPRTIPQADAMKEAGINVDYVLEFDVPDELIVDRIVGRRVHAPSGRVYHVKFNPPKVEGKDDVTGEELTTRKDDQEETVRKRLVEYHQMTAPLIGYYSKEAEAGNTKYAKVDGTKPVAEVRADLEKILG",
    "sequence_length": 214
  },
  "molecule_id": "P69441",
  "states": [
    {
      "assumptions": [],
      "basis": "observed",
      "description": "Apo enzyme with the LID and NMP domains in the open arrangement, as in 4AKE. Domain definitions to be confirmed by the curator.",
      "family_label": null,
      "molecule_id": "P69441",
      "name": "open (apo)",
      "parent_state": null,
      "population": null,
      "provenance": {
        "deposit_id": null,
        "doi": null,
        "licence": "Project licence (pending decision)",
        "retrieved": "2026-10-19",
        "source": "Conformome curation (P69441.yaml)",
        "url": "https://github.com/matth55/conformome/blob/HEAD/curation/P69441.yaml"
      },
      "representative_model": "ADK-open-cif",
      "secondary_structure": null,
      "state_id": "ADK-open",
      "status": "draft"
    },
    {
      "assumptions": [],
      "basis": "observed",
      "description": "LID and NMP domains closed around the bisubstrate inhibitor Ap5A, as in 1AKE.",
      "family_label": null,
      "molecule_id": "P69441",
      "name": "closed (Ap5A-bound)",
      "parent_state": null,
      "population": null,
      "provenance": {
        "deposit_id": null,
        "doi": null,
        "licence": "Project licence (pending decision)",
        "retrieved": "2026-10-19",
        "source": "Conformome curation (P69441.yaml)",
        "url": "https://github.com/matth55/conformome/blob/HEAD/curation/P69441.yaml"
      },
      "representative_model": "ADK-closed-cif",
      "secondary_structure": null,
      "state_id": "ADK-closed",
      "status": "draft"
    }
  ],
  "transitions": []
}