{
  "metadata": {
    "version": "phase6a-1.0.0",
    "phase5_database_sha256": "9b687df9abc3e6434d5f244d2ab94c6ee5566c685e1a74bd59ec4c466b947b0b",
    "source_snapshot": "26 October 2026",
    "counts": {
      "identities": 148,
      "profiles": 163,
      "preparations": 30,
      "observations": 80,
      "studied_compound_profiles": 26,
      "direct_positive_binder_profiles": 20,
      "reported_probe_profiles": 2,
      "reported_control_profiles": 5,
      "cellular_activity_profiles": 2,
      "degradation_profiles": 7,
      "structural_research_ligand_profiles": 109,
      "other_pdb_component_profiles": 21,
      "unresolved_review_profiles": 28,
      "studied_bioactivity_only_profiles": 19,
      "site_records": 1996,
      "structural_research_contact_sites": 283,
      "all_exact_contact_sites": 1278,
      "other_component_sites": 1081,
      "candidate_only": 150,
      "review_flags": 38,
      "hard_failures": 0
    },
    "source_immutability": "Phase 5 SQLite retained bit-for-bit",
    "build_mode": "offline deterministic classification of existing accepted data"
  },
  "identities": [
    {
      "chemical_id": "INCHIKEY:LOFCJGPTBIGJGR-SECBINFHSA-N",
      "primary_name": "(1R)-N-methyl-1-(pyridin-4-yl)propan-1-amine",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "A1A3W"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "structural",
        "unresolved"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/A1A3W"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:WHLMWNCAOOBOTJ-QMMMGPOBSA-N",
      "primary_name": "(1S)-1-(1-phenyl-1H-1,2,3-triazol-4-yl)ethan-1-amine",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "A1AJ5"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "structural"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/A1AJ5"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:WKDBMZQECSVNDS-UHFFFAOYSA-N",
      "primary_name": "(2,6-difluorophenyl)(pyrrolidin-1-yl)methanone",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "NX7"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "structural"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/NX7"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:VUFBCWUJICCKDU-ZCFIWIBFSA-N",
      "primary_name": "(2R)-1-(2-methyl-1H-imidazol-1-yl)propan-2-ol",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "A1A31"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "structural"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/A1A31"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:HFHPBMVMXFZJNO-MRVPVSSYSA-N",
      "primary_name": "(2R)-1-(cyclohexylamino)propan-2-ol",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "A1A3V"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "structural",
        "unresolved"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/A1A3V"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:YVFXOSQSQHCMKO-MRVPVSSYSA-N",
      "primary_name": "(2R)-2-ethyl-N,N-dimethylmorpholine-4-sulfonamide",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "A1AMX"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "structural"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/A1AMX"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:HXLOQIXEAPZOSG-QMMMGPOBSA-N",
      "primary_name": "(2R)-2-phenylpropane-1-sulfonamide",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "A1A32"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "structural"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/A1A32"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:FPDVOQXTUVFQHW-KGLIPLIRSA-N",
      "primary_name": "(2S)-1-[4-[[(3R)-1,1-bis(oxidanylidene)thiolan-3-yl]methyl-methyl-amino]-6-methyl-pyrimidin-2-yl]-N-methyl-pyrrolidine-2-carboxamide",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "A1IFS"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "structural"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/A1IFS"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:FPDVOQXTUVFQHW-KBPBESRZSA-N",
      "primary_name": "(2S)-1-[4-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]methyl-methyl-amino]-6-methyl-pyrimidin-2-yl]-N-methyl-pyrrolidine-2-carboxamide",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "A1IEG"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "structural"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/A1IEG"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:KKBVPDRSYCAPEU-UHFFFAOYSA-N",
      "primary_name": "(2S)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "A1A4A"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "structural",
        "unresolved"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/A1A4A"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:WFCPFRCXTJZDAM-RQJHMYQMSA-N",
      "primary_name": "(2S,5R)-4-[(5-chloro-1,2,3-thiadiazol-4-yl)methyl]-2,5-dimethylmorpholine",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "A1A3R"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "structural"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/A1A3R"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:HHKUQCFQGCCLGA-YUMQZZPRSA-N",
      "primary_name": "(2~{S})-1-[2-hydroxyethyl-[(2~{S})-2-oxidanylpropyl]amino]propan-2-ol",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "962"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "structural"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/962"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:NKGYBXHAQAKSSG-NSHDSACASA-N",
      "primary_name": "(2~{S})-6-methyl-~{N}-propan-2-yl-heptan-2-amine",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "9AE"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "structural"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/9AE"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:QLSDWIHANVSIEK-SECBINFHSA-N",
      "primary_name": "(3R)-N-methyl-1-(pyridazin-3-yl)piperidin-3-amine",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "A1A39",
        "W0J"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "structural",
        "unresolved"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/A1A39",
        "https://www.rcsb.org/ligand/W0J"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:JYNPFTCJJVIWTD-LURJTMIESA-N",
      "primary_name": "(3S)-1-(methanesulfonyl)piperidine-3-carboxylic acid",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "A1A30"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "structural"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/A1A30"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:ZSHARPJAQXGCMB-SECBINFHSA-N",
      "primary_name": "(4-methylpiperazin-1-yl)[(2R)-oxolan-2-yl]methanone",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "SYX"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "structural"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/SYX"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:SVTBMSDMJJWYQN-YFKPBYRVSA-N",
      "primary_name": "(4S)-2-METHYL-2,4-PENTANEDIOL",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "MPD"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "components"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/MPD"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:ITTBXBSSJHVWJS-NSHDSACASA-N",
      "primary_name": "(5S)-7-(pyrazin-2-yl)-2-oxa-7-azaspiro[4.4]nonane",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "U0S"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "structural"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/U0S"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:ITTBXBSSJHVWJS-LLVKDONJSA-N",
      "primary_name": "(5~{R})-7-pyrazin-2-yl-2-oxa-7-azaspiro[4.4]nonane",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "A1H97"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "structural"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/A1H97"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:CPHQGJPWIFPPTQ-VIFPVBQESA-N",
      "primary_name": "(6R)-6-(3,5-dichlorophenyl)morpholin-3-one",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "A1CSP"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "structural"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/A1CSP"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:BYVOHKLWUDZCNW-NSCUHMNNSA-N",
      "primary_name": "(Z)-N-methyl-3-sulfanyl-prop-2-enamide",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "A1EF6"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "structural"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/A1EF6"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:LYCAIKOWRPUZTN-UHFFFAOYSA-N",
      "primary_name": "1,2-ETHANEDIOL",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "EDO"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "components"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/EDO"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:RYHBNJHYFVUHQT-UHFFFAOYSA-N",
      "primary_name": "1,4-DIETHYLENE DIOXIDE",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "DIO"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "components"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/DIO"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:TWJPZMYNUBAUGA-UHFFFAOYSA-N",
      "primary_name": "1-(1,4-diazepan-1-yl)ethan-1-one",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "WO7"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "structural"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/WO7"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:CSZFIJNBBMUGDN-UHFFFAOYSA-N",
      "primary_name": "1-(2-ethyl-1,3-thiazol-5-yl)-N-methylmethanamine",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "A1A36"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "structural"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/A1A36"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:LDKYLKMCPUFNTL-PJTQZDKOSA-N",
      "primary_name": "1-(5-{9-[(4-{2-[(2S,3R)-2-(3,5-dichloro-4-fluorophenyl)-5-oxomorpholin-3-yl]ethyl}piperazin-1-yl)methyl]-3-azaspiro[5.5]undecane-3-carbonyl}-2-methylphenyl)-1,3-diazinane-2,4-dione",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "A1CSQ"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "structural"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/A1CSQ"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:MMAJXKGUZYDTHV-UHFFFAOYSA-N",
      "primary_name": "1-(diphenylmethyl)azetidin-3-ol",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "UXG"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "structural"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/UXG"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:FXILSJTWIHHRJV-UHFFFAOYSA-N",
      "primary_name": "1-(ethanesulfonyl)piperidine-4-carboxylic acid",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "TE0"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "structural"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/TE0"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:UPEFDWJLNXWMOW-UHFFFAOYSA-N",
      "primary_name": "1-(methanesulfonyl)piperidin-4-ol",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "LPU"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "structural"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/LPU"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:DEJLCHRMKBBNPV-UHFFFAOYSA-N",
      "primary_name": "1-(propan-2-yl)-1H-imidazole-4-sulfonamide",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "NYV"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "structural"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/NYV"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:QQINQSPEYDVMCD-UHFFFAOYSA-N",
      "primary_name": "1-[(1-methyl-1H-pyrazol-4-yl)methyl]piperazine",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "A1A3T"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "structural"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/A1A3T"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:JQJVNJKLFUBEBG-UHFFFAOYSA-N",
      "primary_name": "1-[(thiophen-3-yl)methyl]piperidin-4-ol",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "T0Y"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "structural"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/T0Y"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:HHACEXLLNHJLFT-INIZCTEOSA-N",
      "primary_name": "1-[[(2~{S})-1-[4-[ethyl(pyridin-4-ylmethyl)amino]-6-methyl-pyrimidin-2-yl]pyrrolidin-2-yl]methyl]urea",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "A1IEF"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "studied",
        "structural"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/A1IEF"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:FJLFSYRGFJDJMQ-UHFFFAOYSA-N",
      "primary_name": "1-bromanyl-4-methylsulfonyl-benzene",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "A1H6Y"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "structural"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/A1H6Y"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:PFWYRMPHHJKJBB-UHFFFAOYSA-N",
      "primary_name": "1-cyclohexyl-N-methylmethanesulfonamide",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "LJR"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "structural"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/LJR"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:ZSHAGSDVWLLMSY-UHFFFAOYSA-N",
      "primary_name": "2-(2,2-dimethylpyrrolidin-1-yl)ethan-1-amine",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "A1A3Y"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "structural"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/A1A3Y"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:WFHPYRQFVJBTSS-UHFFFAOYSA-N",
      "primary_name": "2-(4-bromanylpyrazol-1-yl)-~{N}-cyclopropyl-~{N}-methyl-ethanamide",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "2NU"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "structural"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/2NU"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:AJVMKMWCEVOBPX-UHFFFAOYSA-N",
      "primary_name": "2-(4-fluorophenoxy)-1-(pyrrolidin-1-yl)ethan-1-one",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "I8G"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "structural"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/I8G"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:SXGZJKUKBWWHRA-UHFFFAOYSA-N",
      "primary_name": "2-(N-MORPHOLINO)-ETHANESULFONIC ACID",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "MES"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "components"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/MES"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:LENZDBCJOHFCAS-UHFFFAOYSA-O",
      "primary_name": "2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "TRS"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "components"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/TRS"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:DBSDZVMWEMKFCH-QMMMGPOBSA-N",
      "primary_name": "2-[(2S)-2-methylpiperidin-1-yl]ethan-1-amine",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "A1A3X"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "structural",
        "unresolved"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/A1A3X"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:ISSJZCAENPGUEW-BQYQJAHWSA-N",
      "primary_name": "2-[(~{E})-2-thiophen-2-ylethenyl]benzoic acid",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "EH2"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "structural"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/EH2"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:JMSBGUKOMZSBMF-UHFFFAOYSA-N",
      "primary_name": "2-[4-(propan-2-yl)piperazin-1-yl]pyrimidine",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "A1AM6"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "structural"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/A1AM6"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:OWMVSZAMULFTJU-UHFFFAOYSA-N",
      "primary_name": "2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "BTB"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "components"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/BTB"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:MWGKOPUDDQZERY-UHFFFAOYSA-N",
      "primary_name": "2-[methyl(pyridin-2-yl)amino]ethan-1-ol",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "UUY"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "structural"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/UUY"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:CGUIJOTZYHWBSQ-UHFFFAOYSA-N",
      "primary_name": "2-bromo-4-fluoro-N,N-dimethylbenzamide",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "WJ7"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "structural"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/WJ7"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:OSFAUZAAZLLTSW-UHFFFAOYSA-N",
      "primary_name": "2-chloro-N-methylbenzene-1-sulfonamide",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "X0S"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "structural"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/X0S"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:LZKKUVDCFSJGNG-UHFFFAOYSA-N",
      "primary_name": "2-methoxy-N-[(4-methylphenyl)methyl]acetamide",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "A1A34"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "structural"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/A1A34"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:XPQAEPLMWBAUIW-UHFFFAOYSA-N",
      "primary_name": "3,5-dimethyl-4-(1-methyl-5-pyridin-4-yl-imidazol-4-yl)-1,2-oxazole",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "EHT"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "structural"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/EHT"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:JYTPHNOPQGAILG-UHFFFAOYSA-N",
      "primary_name": "3,5-dimethyl-4-(4-pyridin-4-yl-1~{H}-pyrazol-3-yl)-1,2-oxazole",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "EHQ"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "structural"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/EHQ"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:PJWWRFATQTVXHA-UHFFFAOYSA-N",
      "primary_name": "3-CYCLOHEXYL-1-PROPYLSULFONIC ACID",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "CXS"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "components"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/CXS"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:IUKADXXFBFQTOO-VIFPVBQESA-N",
      "primary_name": "3-[(2S)-1-(methanesulfonyl)pyrrolidin-2-yl]-5-methyl-1,2-oxazole",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "ZQD"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "structural"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/ZQD"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:KUIOCGNNDZSGKS-UHFFFAOYSA-N",
      "primary_name": "3-cyclohexyl-1-(morpholin-4-yl)propan-1-one",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "NW4"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "structural"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/NW4"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:JKMHFZQWWAIEOD-UHFFFAOYSA-N",
      "primary_name": "4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "EPE"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "components"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/EPE"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:NSJCXUONRHOYTD-UHFFFAOYSA-N",
      "primary_name": "4-(3-methyl-5-phenyl-imidazol-4-yl)pyridine",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "EH8"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "structural"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/EH8"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:LKKNQJJSEMQTHQ-UHFFFAOYSA-N",
      "primary_name": "4-(4-bromanyl-1~{H}-pyrazol-3-yl)pyridine",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "A1D73"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "studied",
        "structural"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/A1D73"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:FLJPZKPNJVGMHO-UHFFFAOYSA-N",
      "primary_name": "4-(dipropylamino)butanenitrile",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "9AH"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "structural"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/9AH"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:LLNQWPTUJJYTTE-UHFFFAOYSA-N",
      "primary_name": "4-IODOPYRAZOLE",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "PYZ"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "structural"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/PYZ"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:PTFMLOCDFPJQDW-UHFFFAOYSA-N",
      "primary_name": "4-[(5-chloro-1,2,3-thiadiazol-4-yl)methyl]morpholine",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "WJ4"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "structural"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/WJ4"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:FOQLCYIBXICLES-UHFFFAOYSA-N",
      "primary_name": "4-[5-(7-fluoranylquinolin-4-yl)-1-methyl-imidazol-4-yl]-3,5-dimethyl-1,2-oxazole",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "EHW"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "structural"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/EHW"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:ZMYTUDHTGNNWHO-UHFFFAOYSA-N",
      "primary_name": "4-[5-[4-(aminomethyl)-2,6-dimethoxy-phenyl]-3-methyl-imidazol-4-yl]benzenecarbonitrile",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "7QC"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "structural"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/7QC"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:XYXFWJIPNFLQRI-UHFFFAOYSA-N",
      "primary_name": "4-[[(5-bromanylpyridin-3-yl)methylamino]methyl]aniline",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "A1II2"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "structural"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/A1II2"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:AIMZAKOWTDKKHP-HNECRKQMSA-N",
      "primary_name": "4-[[cyclopropyl-[(~{Z})-2-methyl-4-(5-oxidanylidene-2~{H}-1,4-oxazin-3-yl)but-3-enoyl]amino]methyl]-~{N}-[3-[2-[[4-(hydroxymethyl)phenyl]carbonyl-methyl-amino]ethyl]phenyl]benzamide",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "A1J21"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "structural",
        "unresolved"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/A1J21"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:BZKKUHPYPOFQBB-UHFFFAOYSA-N",
      "primary_name": "4-azanyl-~{N}-[[2,4-bis(fluoranyl)phenyl]methyl]-6-[3-(dimethylamino)-3-oxidanylidene-propyl]-1-oxidanyl-2-oxidanylidene-1,8-naphthyridine-3-carboxamide",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "1L0"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [],
      "source_urls": [
        "https://www.rcsb.org/ligand/1L0"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:WVGCPEDBFHEHEZ-UHFFFAOYSA-N",
      "primary_name": "4-bromo-1H-pyrazole",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "BYZ"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "structural"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/BYZ"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N",
      "primary_name": "4-cyano-N-cyclopropyl-N-[(thiophen-2-yl)methyl]benzamide",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "Q5D"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "studied",
        "structural"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/Q5D"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:IRSPYYYZACJWSE-UHFFFAOYSA-N",
      "primary_name": "4-methyl-3-[1-methyl-5-(3-oxidanylidene-4~{H}-1,4-benzoxazin-7-yl)imidazol-4-yl]-~{N}-phenyl-benzamide",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "A1H7Y"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "structural"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/A1H7Y"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-O",
      "primary_name": "5'-S-[(3S)-3-azaniumyl-3-carboxypropyl]-5'-thioadenosine",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "SAO"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "components"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/SAO"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:XJBJEDGBRSPREH-UHFFFAOYSA-N",
      "primary_name": "5-[2-hydroxyethyl(propyl)amino]pentan-1-ol",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "96E"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "structural"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/96E"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:GYCPLYCTMDTEPU-UHFFFAOYSA-N",
      "primary_name": "5-bromanylpyrimidine",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "HHN"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "structural"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/HHN"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:DDBCCLBDEPERNR-UHFFFAOYSA-N",
      "primary_name": "5-methyl-2-piperidin-4-yl-6-pyridin-4-yl-pyridazin-3-one",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "EHK"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "structural"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/EHK"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:TWZULJZXADJJPI-UHFFFAOYSA-N",
      "primary_name": "5-methyl-6-phenyl-2-piperidin-4-yl-pyridazin-3-one",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "EHE"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "structural"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/EHE"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:NGLYVCQIAOHIJE-UHFFFAOYSA-N",
      "primary_name": "6-dipropylamino-1-hexanol",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "96K"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "structural"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/96K"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:PLCLGFAKZPXQFY-UHFFFAOYSA-N",
      "primary_name": "6-methyl-2-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridazin-3(2H)-one",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "UWS"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "structural"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/UWS"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:GOGVDMSQODUATE-JTQLQIEISA-N",
      "primary_name": "6-methyl-N-{[(3S)-pyrrolidin-3-yl]methyl}pyridin-2-amine",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "A1A37"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "structural"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/A1A37"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:APUAYMXUHLOPLQ-UHFFFAOYSA-N",
      "primary_name": "7-[3-methyl-5-[2-methyl-5-[(pyridin-3-ylamino)methyl]phenyl]imidazol-4-yl]-4~{H}-1,4-benzoxazin-3-one",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "A1H7X"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "structural"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/A1H7X"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:GCVYFXYBQCKHCH-UHFFFAOYSA-N",
      "primary_name": "7-[5-methyl-3-[2-methyl-5-(piperidin-1-ylmethyl)phenyl]-1,2-oxazol-4-yl]-4~{H}-1,4-benzoxazin-3-one",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "A1H7Z"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "structural"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/A1H7Z"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:XTWYTFMLZFPYCI-KQYNXXCUSA-N",
      "primary_name": "ADENOSINE-5'-DIPHOSPHATE",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "ADP"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [],
      "source_urls": [
        "https://www.rcsb.org/ligand/ADP"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:SOLUWJRYJLAZCX-LYOVBCGYSA-N",
      "primary_name": "Bictegravir",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "KLQ"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [],
      "source_urls": [
        "https://www.rcsb.org/ligand/KLQ"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:VEXZGXHMUGYJMC-UHFFFAOYSA-M",
      "primary_name": "CHLORIDE ION",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "CL"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "components"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/CL"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:OEYIOHPDSNJKLS-UHFFFAOYSA-N",
      "primary_name": "CHOLINE ION",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "CHT"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "structural"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/CHT"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:XVOYSCVBGLVSOL-REOHCLBHSA-N",
      "primary_name": "CYSTEINESULFONIC ACID",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "OCS"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "unresolved"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/OCS"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:MTHSVFCYNBDYFN-UHFFFAOYSA-N",
      "primary_name": "DI(HYDROXYETHYL)ETHER",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "PEG"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "components"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/PEG"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:IAZDPXIOMUYVGZ-UHFFFAOYSA-N",
      "primary_name": "DIMETHYL SULFOXIDE",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "DMS"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "components"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/DMS"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:LFQSCWFLJHTTHZ-UHFFFAOYSA-N",
      "primary_name": "ETHANOL",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "EOH"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "components"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/EOH"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:AEUTYOVWOVBAKS-UWVGGRQHSA-N",
      "primary_name": "Ethambutol",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "95E"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "structural"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/95E"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:BDAGIHXWWSANSR-UHFFFAOYSA-N",
      "primary_name": "FORMIC ACID",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "FMT"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "components"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/FMT"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:PEDCQBHIVMGVHV-UHFFFAOYSA-N",
      "primary_name": "GLYCEROL",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "GOL"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "components"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/GOL"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:JLVVSXFLKOJNIY-UHFFFAOYSA-N",
      "primary_name": "MAGNESIUM ION",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "MG"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "components"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/MG"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:OFOBLEOULBTSOW-UHFFFAOYSA-N",
      "primary_name": "MALONIC ACID",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "MLA"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "components"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/MLA"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:YJCZGTAEFYFJRJ-UHFFFAOYSA-N",
      "primary_name": "N,N,3,5-tetramethyl-1H-pyrazole-4-sulfonamide",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "K2S"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "structural"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/K2S"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:KUYQDJOFVBGZID-UHFFFAOYSA-N",
      "primary_name": "N,N-diethyl-2-methylbenzamide",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "A1A3Z"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "structural"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/A1A3Z"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:OPFOHHASSCNHHQ-UHFFFAOYSA-N",
      "primary_name": "N,N-dimethylmorpholine-4-sulfonamide",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "YEB"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "structural"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/YEB"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:XMFYMWXCIWIHAC-UHFFFAOYSA-N",
      "primary_name": "N,N-dimethylpiperazine-1-carboxamide",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "A1AKB"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "structural"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/A1AKB"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:HGZULNNLLFYOFI-UHFFFAOYSA-N",
      "primary_name": "N,N-dimethylpyridine-3-sulfonamide",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "ZUG"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "structural"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/ZUG"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:MRTGYFRQZQCITC-UHFFFAOYSA-N",
      "primary_name": "N-(2-fluorophenyl)ethanesulfonamide",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "VVG"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "structural"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/VVG"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:DGVCWDGVOWMWNP-UHFFFAOYSA-N",
      "primary_name": "N-(2-methoxyphenyl)-2-selanyl-benzamide",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "A1EF7"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "structural"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/A1EF7"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:BTFSIMIIDGGVRU-UHFFFAOYSA-N",
      "primary_name": "N-(4-acetylphenyl)-2-(pyrrolidin-1-yl)acetamide",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "A1A3P"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "structural"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/A1A3P"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:CZFFBEXEKNGXKS-UHFFFAOYSA-N",
      "primary_name": "N-(4-fluorobenzyl)-5-hydroxy-1-methyl-2-(1-methyl-1-{[(5-methyl-1,3,4-oxadiazol-2-yl)carbonyl]amino}ethyl)-6-oxo-1,6-di\nhydropyrimidine-4-carboxamide",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "RLT"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [],
      "source_urls": [
        "https://www.rcsb.org/ligand/RLT"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O",
      "primary_name": "N-TRIMETHYLLYSINE",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "M3L"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "unresolved"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/M3L"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:XJCXOPUZWYXCES-QMMMGPOBSA-N",
      "primary_name": "N-[(1S)-1-(pyridin-3-yl)ethyl]cyclopropanamine",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "A1A3U"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "structural"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/A1A3U"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:RMWFRPZNASSVCZ-MRVPVSSYSA-N",
      "primary_name": "N-[(3R)-1,1-dioxo-1lambda~6~-thiolan-3-yl]-N-methyl-N'-propan-2-ylurea",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "VZP"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "structural"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/VZP"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:ZFLKDMGBVZHBAC-NSHDSACASA-N",
      "primary_name": "N-[(3S)-piperidin-3-yl]benzamide",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "KF8"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "structural"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/KF8"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:LULUGSQUPICPQM-UHFFFAOYSA-N",
      "primary_name": "N-[(piperidin-4-yl)methyl]methanesulfonamide",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "W1A"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "structural"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/W1A"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:UXPPTRFZLSZETL-UHFFFAOYSA-N",
      "primary_name": "N-cycloheptyl-N-methylmethanesulfonamide",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "VVJ"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "structural"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/VVJ"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:KOZGEDUWAQFVAV-UHFFFAOYSA-N",
      "primary_name": "N-cyclopropyl-3-oxo-N-({4-[(pyrimidin-4-yl)carbamoyl]phenyl}methyl)-3,4-dihydro-2H-1,4-benzoxazine-7-carboxamide",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "V01"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "studied",
        "structural"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/V01"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:UTXGKZQFKXUXRX-UHFFFAOYSA-N",
      "primary_name": "N-ethyl-2-fluoro-4-(methylsulfonyl)aniline",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "WV4"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "structural"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/WV4"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:UQXCTICEXNDHAR-UHFFFAOYSA-N",
      "primary_name": "N-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)methanamine",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "UWD"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "structural"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/UWD"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:YLDKGNWSSXYUAH-UHFFFAOYSA-N",
      "primary_name": "N-methyl-2-(methylsulfonyl)aniline",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "UVA"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "structural"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/UVA"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:VTMVBMKVPGBHRQ-UHFFFAOYSA-N",
      "primary_name": "N-methyl-3-oxo-N-(propan-2-yl)piperazine-1-sulfonamide",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "8DH"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "structural"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/8DH"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:DIBVGDONZMMHTK-UHFFFAOYSA-N",
      "primary_name": "N-methyl-N-(pyridin-3-yl)acetamide",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "A1A38"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "structural"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/A1A38"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:CPSZUJVUZDHXHY-UHFFFAOYSA-N",
      "primary_name": "N-methyl-N-[2-oxo-2-(piperidin-1-yl)ethyl]methanesulfonamide",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "A1A3S"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "structural"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/A1A3S"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:VMFJFKMORNSDKQ-ZETCQYMHSA-N",
      "primary_name": "N-{(1R)-1-[(4S)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl}acetamide",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "A1A3Q"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "structural"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/A1A3Q"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:IOOTXFHTMOUUHM-UHFFFAOYSA-N",
      "primary_name": "N-{[(4R)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl}propanamide",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "A1AM1"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "structural"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/A1AM1"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:OEDKOOAJXTXCQZ-UHFFFAOYSA-N",
      "primary_name": "N1-(2-hydroxyethyl)-2-methyl-1,2-propanediamine",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "9AK"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "structural"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/9AK"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:IQHALCWAYMQEQI-UHFFFAOYSA-N",
      "primary_name": "N~1~,N~1~,N~4~,N~4~-tetramethylpiperazine-1,4-dicarboxamide",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "A1A35"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "structural"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/A1A35"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:NBIIXXVUZAFLBC-UHFFFAOYSA-K",
      "primary_name": "PHOSPHATE ION",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "PO4"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "components"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/PO4"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
      "primary_name": "S-ADENOSYL-L-HOMOCYSTEINE",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "SAH"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "components"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/SAH"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:MEFKEPWMEQBLKI-FCKMPRQPSA-N",
      "primary_name": "S-ADENOSYLMETHIONINE",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "SAM"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "components"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/SAM"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "primary_name": "SULFATE ION",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "SO4"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "components"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/SO4"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:SLINHMUFWFWBMU-CIUDSAMLSA-N",
      "primary_name": "Triisopropanolamine",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "96H"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "structural"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/96H"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "CCD_UNRESOLVED:UNX",
      "primary_name": "UNKNOWN ATOM OR ION",
      "source_identity_status": "unresolved_CCD_placeholder",
      "ccd_ids": [
        "UNX"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": false,
      "observed_roles": [
        "unresolved"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/UNX"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "CCD_UNRESOLVED:UNL",
      "primary_name": "Unknown ligand",
      "source_identity_status": "unresolved_CCD_placeholder",
      "ccd_ids": [
        "UNL"
      ],
      "isomeric_smiles_present": false,
      "identity_resolved": false,
      "observed_roles": [
        "unresolved"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/UNL"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:JQSHBVHOMNKWFT-DTORHVGOSA-N",
      "primary_name": "VARENICLINE",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "QMR"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "studied",
        "structural"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/QMR"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:XLYOFNOQVPJJNP-UHFFFAOYSA-N",
      "primary_name": "WATER",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "HOH"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [],
      "source_urls": [
        "https://www.rcsb.org/ligand/HOH"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "primary_name": "ZINC ION",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "ZN"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "unresolved"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/ZN"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:YWRNHBFWWBSTNH-QMMMGPOBSA-N",
      "primary_name": "[(2R)-2-methylpiperidin-1-yl](4-methyl-1,3-thiazol-5-yl)methanone",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "A1A4B"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "structural"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/A1A4B"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:LZXLHLSTUPFULX-UHFFFAOYSA-N",
      "primary_name": "[(3S)-1-(propan-2-yl)piperidin-3-yl]methanol",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "A1A33"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "structural",
        "unresolved"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/A1A33"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:LYFZPAXTPPYSEC-UHFFFAOYSA-N",
      "primary_name": "[3,5-dimethyl-4-(1-methyl-5-pyridin-4-yl-imidazol-4-yl)phenyl]methanamine",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "EHH"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "structural"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/EHH"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:ZSRUKYFBDGVFQS-UHFFFAOYSA-N",
      "primary_name": "[3-[(5-bromanylpyridin-3-yl)methylamino]phenyl]methanol",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "A1II3"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "structural"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/A1II3"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:WOAOENGFAAUUGT-UHFFFAOYSA-N",
      "primary_name": "[4-[5-(7-fluoranylquinolin-4-yl)-1-methyl-imidazol-4-yl]-3,5-dimethyl-phenyl]methanamine",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "EJE"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "studied",
        "structural",
        "unresolved"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/EJE"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:GZINCFOQQRVKFL-UHFFFAOYSA-N",
      "primary_name": "[4-methyl-6-(piperidin-1-yl)pyrimidin-2-yl]methanol",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "TU6"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "structural"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/TU6"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:KVMMIDQDXZOPAB-UHFFFAOYSA-N",
      "primary_name": "isoquinoline-3-carboxylic acid",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "4K8"
      ],
      "isomeric_smiles_present": true,
      "identity_resolved": true,
      "observed_roles": [
        "structural"
      ],
      "source_urls": [
        "https://www.rcsb.org/ligand/4K8"
      ],
      "identity_verification": "phase5_source_mapped_not_reverified",
      "rule": "Exact identity retained from phase5; original CCD identity != biochemical validation"
    },
    {
      "chemical_id": "INCHIKEY:HEIPZBCMZXCIPT-UHFFFAOYSA-N",
      "primary_name": "~{N},~{N}-dimethyl-1~{H}-pyrazole-4-sulfonamide",
      "source_identity_status": "complete_deposited_InChIKey",
      "ccd_ids": [
        "A1H9V"
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        "PDB:3PMI:LIG:G:SO4:1:.:SITE:UP:Q2TAK8:PWWP1:B",
        "PDB:5Y1Z:LIG:E:SO4:201:.:SITE:UP:Q9ULU4:PWWP1:C",
        "PDB:5Y1Z:LIG:J:SO4:505:.:SITE:UP:Q9ULU4:PWWP1:C",
        "PDB:5NRV:LIG:E:SO4:403:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:5Y1Z:LIG:J:SO4:505:.:SITE:UP:Q9ULU4:PWWP1:D",
        "PDB:2X4Y:LIG:S:SO4:2208:.:SITE:UP:P55201:PWWP1:A",
        "PDB:2X4Y:LIG:R:SO4:2207:.:SITE:UP:P55201:PWWP1:A",
        "PDB:2X4X:LIG:I:SO4:2206:.:SITE:UP:P55201:PWWP1:A",
        "PDB:2X4Y:LIG:Q:SO4:2206:.:SITE:UP:P55201:PWWP1:A",
        "PDB:3PFS:LIG:D:SO4:1300:.:SITE:UP:Q9ULD4:PWWP1:A",
        "PDB:6OQM:LIG:F:SO4:205:.:SITE:UP:P52701:PWWP1:A",
        "PDB:6OQM:LIG:D:SO4:203:.:SITE:UP:P52701:PWWP1:A",
        "PDB:8Z6C:LIG:F:SO4:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:9G96:LIG:E:SO4:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HH1:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:3QJ6:LIG:C:SO4:94:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGM:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGB:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:9I7B:LIG:D:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HHB:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:9I7G:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HH4:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HHH:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGR:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HHI:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGY:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HG6:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HHQ:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HH2:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:9G91:LIG:E:SO4:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGF:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HHK:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HHA:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:9I7C:LIG:F:SO4:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HG2:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGP:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HH0:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGA:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HH6:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HH3:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HG3:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGC:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HHJ:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HG9:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HH9:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HG7:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HG1:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:9I7I:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HG4:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HH5:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HHE:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGL:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HHL:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HHC:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:9GRU:LIG:F:SO4:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGW:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HG5:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGV:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGU:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HHO:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGE:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HH7:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGJ:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HG0:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGK:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGO:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HHR:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGN:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HHD:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGX:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:9I7D:LIG:G:SO4:205:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HHG:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGI:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HG8:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HHN:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGS:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HHM:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGT:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGD:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGG:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGZ:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HHF:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:9G94:LIG:F:SO4:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HH8:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HHP:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:9GRT:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGQ:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:9GRV:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGH:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:4FU6:LIG:C:SO4:202:.:SITE:UP:O75475:PWWP1:A",
        "PDB:6IIP:LIG:F:SO4:104:.:SITE:UP:Q9Y3E1:PWWP1:A",
        "PDB:9I7B:LIG:E:SO4:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HHQ:LIG:D:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:9I7D:LIG:D:SO4:202:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HH8:LIG:D:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGZ:LIG:D:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HHB:LIG:D:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:4FU6:LIG:B:SO4:201:.:SITE:UP:O75475:PWWP1:A",
        "PDB:6IIP:LIG:I:SO4:103:.:SITE:UP:Q9Y3E1:PWWP1:A",
        "PDB:6IIP:LIG:H:SO4:102:.:SITE:UP:Q9Y3E1:PWWP1:A",
        "PDB:9KN9:LIG:H:SO4:403:.:SITE:UP:O96028:PWWP1:B",
        "PDB:9KNA:LIG:G:SO4:405:.:SITE:UP:O96028:PWWP1:A",
        "PDB:9KN9:LIG:F:SO4:401:.:SITE:UP:O96028:PWWP1:B",
        "PDB:9KNA:LIG:E:SO4:403:.:SITE:UP:O96028:PWWP1:A",
        "PDB:5NR3:LIG:E:SO4:403:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:5NRR:LIG:E:SO4:403:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:5NV2:LIG:G:SO4:405:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:5NVO:LIG:I:SO4:407:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:5NV0:LIG:F:SO4:404:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:5NRV:LIG:K:SO4:402:.:SITE:UP:Q9UBC3:PWWP1:B",
        "PDB:5NVO:LIG:H:SO4:406:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:5NV0:LIG:H:SO4:406:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:9KNA:LIG:H:SO4:406:.:SITE:UP:O96028:PWWP1:A",
        "PDB:5NR3:LIG:F:SO4:404:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:9I7D:LIG:F:SO4:204:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:5NVO:LIG:G:SO4:405:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:5NV0:LIG:G:SO4:405:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:5NV2:LIG:H:SO4:406:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:5NR3:LIG:D:SO4:402:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:5NVO:LIG:F:SO4:404:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:5NV2:LIG:F:SO4:404:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:5NRS:LIG:D:SO4:402:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:5NRR:LIG:D:SO4:402:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:5NV0:LIG:D:SO4:402:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:5NV7:LIG:E:SO4:403:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:5NRV:LIG:N:SO4:405:.:SITE:UP:Q9UBC3:PWWP1:B",
        "PDB:5NRV:LIG:M:SO4:404:.:SITE:UP:Q9UBC3:PWWP1:B",
        "PDB:9KNA:LIG:J:SO4:402:.:SITE:UP:O96028:PWWP1:A",
        "PDB:9KNA:LIG:M:SO4:405:.:SITE:UP:O96028:PWWP1:A",
        "PDB:5NRV:LIG:I:SO4:407:.:SITE:UP:Q9UBC3:PWWP1:B",
        "PDB:5NV2:LIG:J:SO4:402:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:5NRR:LIG:I:SO4:403:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:5NV0:LIG:L:SO4:404:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:5NVO:LIG:K:SO4:402:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:5NV7:LIG:H:SO4:403:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:5NRS:LIG:F:SO4:401:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:5NRV:LIG:L:SO4:403:.:SITE:UP:Q9UBC3:PWWP1:B",
        "PDB:5NRV:LIG:G:SO4:405:.:SITE:UP:Q9UBC3:PWWP1:B",
        "PDB:3QKJ:LIG:N:SO4:2:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:5NV0:LIG:E:SO4:403:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:5NRR:LIG:F:SO4:404:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:5NRS:LIG:C:SO4:401:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:5NVO:LIG:E:SO4:403:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:5NV7:LIG:D:SO4:402:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:5NV2:LIG:D:SO4:402:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:3QKJ:LIG:F:SO4:3:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:5NV2:LIG:E:SO4:403:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:5NVO:LIG:D:SO4:402:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:3QKJ:LIG:G:SO4:4:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:9KNA:LIG:D:SO4:402:.:SITE:UP:O96028:PWWP1:A",
        "PDB:9GRS:LIG:J:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:8Z6C:LIG:I:SO4:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:9GRT:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGA:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:9GRS:LIG:H:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:9I7C:LIG:H:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGK:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HHC:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HHJ:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGP:LIG:J:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:9G94:LIG:H:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGC:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:9GRU:LIG:H:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HHB:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HH7:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGJ:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGX:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HHD:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGO:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HG0:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HG7:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HHR:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGE:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGG:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HHK:LIG:I:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HHQ:LIG:I:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGN:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGD:LIG:I:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGH:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HG6:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGW:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HH4:LIG:I:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HG5:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HG9:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGI:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGU:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HHL:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGQ:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HH0:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGT:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGB:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HH1:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HG4:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HG2:LIG:I:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HHE:LIG:I:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HHF:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HHH:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
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        "PDB:8Z6C:LIG:I:SO4:103:.:SITE:UP:Q7Z4V5:PWWP1:B",
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        "PDB:7HHG:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
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        "PDB:7HHD:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
        "PDB:9I7C:LIG:H:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:B",
        "PDB:7HGX:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
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        "PDB:7HG7:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
        "PDB:7HGN:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
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        "PDB:7HGE:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
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        "PDB:7HG3:LIG:I:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
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        "PDB:7HG0:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
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        "PDB:7HH4:LIG:I:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
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        "PDB:7HH7:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
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        "PDB:7HGF:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
        "PDB:7HG2:LIG:I:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
        "PDB:7HGT:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
        "PDB:7HHK:LIG:I:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
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        "PDB:7HH1:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
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        "PDB:7HH6:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
        "PDB:7HH3:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
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        "PDB:7HHF:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
        "PDB:7HHN:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
        "PDB:7HGZ:LIG:J:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:B",
        "PDB:7HH2:LIG:I:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:B",
        "PDB:7HGW:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
        "PDB:7HGL:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
        "PDB:9GRU:LIG:H:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:B",
        "PDB:7HGQ:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
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        "PDB:7HHI:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
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        "PDB:7HH9:LIG:K:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HHM:LIG:K:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HG1:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGD:LIG:M:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGV:LIG:L:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGR:LIG:K:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGG:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HH6:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGK:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGS:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HHQ:LIG:L:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HH3:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HG3:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGL:LIG:K:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HHA:LIG:L:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HH1:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:9I7I:LIG:J:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGB:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HHR:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HHP:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGJ:LIG:K:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGI:LIG:K:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGW:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HG4:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HH5:LIG:L:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HHE:LIG:L:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGU:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGP:LIG:M:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGO:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HG7:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGC:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGT:LIG:K:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HHL:LIG:K:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HHJ:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HHN:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HHK:LIG:L:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HH7:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HHC:LIG:K:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HG9:LIG:K:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGE:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HG5:LIG:K:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HHB:LIG:K:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HHD:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGM:LIG:L:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:9I7G:LIG:I:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HHG:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HG6:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HHO:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGH:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGF:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGA:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HG2:LIG:M:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HHH:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGZ:LIG:M:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:9I7C:LIG:K:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HG8:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGN:LIG:K:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HH0:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HG0:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HH8:LIG:M:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGY:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGX:LIG:K:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HH2:LIG:K:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HH4:LIG:L:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:9GRT:LIG:N:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HHF:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:9GRT:LIG:M:SO4:103:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:9GRS:LIG:L:SO4:602:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:5Y1Z:LIG:K:SO4:506:.:SITE:UP:Q9ULU4:PWWP1:C",
        "PDB:5Y1Z:LIG:I:SO4:504:.:SITE:UP:Q9ULU4:PWWP1:C",
        "PDB:8Z6C:LIG:H:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:9GRU:LIG:K:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:9GRT:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:9G94:LIG:K:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:3QBY:LIG:S:SO4:95:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:8Z6C:LIG:K:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HHI:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HHQ:LIG:H:SO4:105:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:9GRT:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HH3:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGR:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGD:LIG:H:SO4:105:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HG7:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HHA:LIG:H:SO4:105:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HHB:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGX:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGE:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HHC:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGP:LIG:H:SO4:105:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HHM:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGZ:LIG:H:SO4:105:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGA:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGN:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HHH:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HHJ:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HHD:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGW:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGU:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGT:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGH:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HG0:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HG4:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HHO:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HH6:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HH9:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HH5:LIG:H:SO4:105:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HHP:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGV:LIG:H:SO4:105:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HHR:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGL:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGC:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HH7:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGO:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:9GRV:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HG6:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGQ:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGJ:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGF:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HHG:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGM:LIG:H:SO4:105:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HH4:LIG:H:SO4:105:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:9GRS:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HHE:LIG:H:SO4:105:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGK:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HHL:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HH2:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HG8:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HG3:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HH1:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HG2:LIG:H:SO4:105:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HH0:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGY:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGI:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HG1:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGB:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HH8:LIG:H:SO4:105:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HHN:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGS:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGG:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HHK:LIG:H:SO4:105:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HHF:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HG5:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HG9:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:5NRV:LIG:D:SO4:402:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:3QKJ:LIG:M:SO4:1:.:SITE:UP:Q9UBC3:PWWP1:D",
        "PDB:3QKJ:LIG:G:SO4:4:.:SITE:UP:Q9UBC3:PWWP1:D",
        "PDB:5NRV:LIG:F:SO4:404:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:5NRV:LIG:I:SO4:407:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:5NRV:LIG:G:SO4:405:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:3QKJ:LIG:N:SO4:2:.:SITE:UP:Q9UBC3:PWWP1:D",
        "PDB:5NRV:LIG:M:SO4:404:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:3QKJ:LIG:F:SO4:3:.:SITE:UP:Q9UBC3:PWWP1:D",
        "PDB:5NRV:LIG:H:SO4:406:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:5Y1Z:LIG:O:SO4:504:.:SITE:UP:Q9ULU4:PWWP1:D",
        "PDB:5Y1Z:LIG:P:SO4:505:.:SITE:UP:Q9ULU4:PWWP1:D",
        "PDB:2X4Y:LIG:V:SO4:2206:.:SITE:UP:P55201:PWWP1:E",
        "PDB:2X4Y:LIG:W:SO4:2204:.:SITE:UP:P55201:PWWP1:G",
        "PDB:2X4Y:LIG:Q:SO4:2206:.:SITE:UP:P55201:PWWP1:O"
      ],
      "verification_status": "source_scoped_mixed",
      "rule": "Independent source observations + per-site coordinate role, not universal pharmacology",
      "uncertainty": "Classification is evidence- and experiment-scoped; missing assays do not prove nonbinding."
    },
    {
      "compound_id": "INCHIKEY:SLINHMUFWFWBMU-CIUDSAMLSA-N",
      "chemical_id": "INCHIKEY:SLINHMUFWFWBMU-CIUDSAMLSA-N",
      "entity_kind": "chemical_identity",
      "name": "Triisopropanolamine",
      "identity_resolved": true,
      "studied_compound": false,
      "structural_research_ligand": true,
      "other_pdb_component": false,
      "verification_queue": false,
      "reported_probe": false,
      "reported_control": false,
      "positive_direct_binder": false,
      "cellular_activity": false,
      "protein_degradation": false,
      "measured_observation_count": 0,
      "total_observation_count": 0,
      "structural_research_site_count": 1,
      "other_site_count": 0,
      "uncertain_site_count": 0,
      "annotation_roles": [
        "structural"
      ],
      "primary_view": "structural",
      "source_observation_ids": [],
      "source_site_ids": [
        "PDB:6R3E:LIG:C:96H:501:.:SITE:UP:Q9UBC3:PWWP1:A"
      ],
      "verification_status": "source_scoped_mixed",
      "rule": "Independent source observations + per-site coordinate role, not universal pharmacology",
      "uncertainty": "Classification is evidence- and experiment-scoped; missing assays do not prove nonbinding."
    },
    {
      "compound_id": "INCHIKEY:JXTDBIVBSAFNBJ-PLCURSASSA-N",
      "chemical_id": "INCHIKEY:JXTDBIVBSAFNBJ-PLCURSASSA-N",
      "entity_kind": "chemical_identity",
      "name": "UNC7096",
      "identity_resolved": true,
      "studied_compound": true,
      "structural_research_ligand": false,
      "other_pdb_component": false,
      "verification_queue": false,
      "reported_probe": false,
      "reported_control": false,
      "positive_direct_binder": true,
      "cellular_activity": false,
      "protein_degradation": false,
      "measured_observation_count": 1,
      "total_observation_count": 1,
      "structural_research_site_count": 0,
      "other_site_count": 0,
      "uncertain_site_count": 0,
      "annotation_roles": [
        "studied"
      ],
      "primary_view": "studied",
      "source_observation_ids": [
        "PWWP5:ASSAY:0007"
      ],
      "source_site_ids": [],
      "verification_status": "source_scoped_mixed",
      "rule": "Independent source observations + per-site coordinate role, not universal pharmacology",
      "uncertainty": "Classification is evidence- and experiment-scoped; missing assays do not prove nonbinding."
    },
    {
      "compound_id": "INCHIKEY:HUIINGSTUYTZJL-UHFFFAOYSA-N",
      "chemical_id": "INCHIKEY:HUIINGSTUYTZJL-UHFFFAOYSA-N",
      "entity_kind": "chemical_identity",
      "name": "UNC7145",
      "identity_resolved": true,
      "studied_compound": true,
      "structural_research_ligand": false,
      "other_pdb_component": false,
      "verification_queue": false,
      "reported_probe": false,
      "reported_control": true,
      "positive_direct_binder": false,
      "cellular_activity": false,
      "protein_degradation": false,
      "measured_observation_count": 1,
      "total_observation_count": 1,
      "structural_research_site_count": 0,
      "other_site_count": 0,
      "uncertain_site_count": 0,
      "annotation_roles": [
        "studied"
      ],
      "primary_view": "studied",
      "source_observation_ids": [
        "PWWP:ASSAY:0007"
      ],
      "source_site_ids": [],
      "verification_status": "source_scoped_mixed",
      "rule": "Independent source observations + per-site coordinate role, not universal pharmacology",
      "uncertainty": "Classification is evidence- and experiment-scoped; missing assays do not prove nonbinding."
    },
    {
      "compound_id": "PREP:UNC7753",
      "chemical_id": null,
      "entity_kind": "experimental_preparation",
      "name": "UNC7753",
      "identity_resolved": false,
      "studied_compound": true,
      "structural_research_ligand": false,
      "other_pdb_component": false,
      "verification_queue": true,
      "reported_probe": false,
      "reported_control": false,
      "positive_direct_binder": false,
      "cellular_activity": false,
      "protein_degradation": true,
      "measured_observation_count": 2,
      "total_observation_count": 2,
      "structural_research_site_count": 0,
      "other_site_count": 0,
      "uncertain_site_count": 0,
      "annotation_roles": [
        "studied",
        "unresolved"
      ],
      "primary_view": "studied",
      "source_observation_ids": [
        "PWWP5:ASSAY:0012",
        "PWWP5:ASSAY:0013"
      ],
      "source_site_ids": [],
      "verification_status": "source_scoped_mixed",
      "rule": "Independent source observations + per-site coordinate role, not universal pharmacology",
      "uncertainty": "Classification is evidence- and experiment-scoped; missing assays do not prove nonbinding."
    },
    {
      "compound_id": "INCHIKEY:MDIKJIFCQAJLPD-UHFFFAOYSA-N",
      "chemical_id": "INCHIKEY:MDIKJIFCQAJLPD-UHFFFAOYSA-N",
      "entity_kind": "chemical_identity",
      "name": "UNC8153",
      "identity_resolved": true,
      "studied_compound": true,
      "structural_research_ligand": false,
      "other_pdb_component": false,
      "verification_queue": false,
      "reported_probe": false,
      "reported_control": false,
      "positive_direct_binder": true,
      "cellular_activity": false,
      "protein_degradation": true,
      "measured_observation_count": 3,
      "total_observation_count": 3,
      "structural_research_site_count": 0,
      "other_site_count": 0,
      "uncertain_site_count": 0,
      "annotation_roles": [
        "studied"
      ],
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        "PDB:5VC8:LIG:PA:UNX:416:.:SITE:UP:O96028:PWWP1:B",
        "PDB:6UE6:LIG:Y:UNX:2007:.:SITE:UP:O96028:PWWP1:B",
        "PDB:6UE6:LIG:AA:UNX:2009:.:SITE:UP:O96028:PWWP1:B",
        "PDB:6UE6:LIG:U:UNX:2003:.:SITE:UP:O96028:PWWP1:B",
        "PDB:5VC8:LIG:AA:UNX:401:.:SITE:UP:O96028:PWWP1:B",
        "PDB:5VC8:LIG:CA:UNX:403:.:SITE:UP:O96028:PWWP1:B",
        "PDB:6UE6:LIG:BA:UNX:2010:.:SITE:UP:O96028:PWWP1:B",
        "PDB:5VC8:LIG:FA:UNX:406:.:SITE:UP:O96028:PWWP1:B",
        "PDB:6XCG:LIG:H:UNX:404:.:SITE:UP:O96028:PWWP1:B",
        "PDB:5VC8:LIG:SA:UNX:419:.:SITE:UP:O96028:PWWP1:B",
        "PDB:6XCG:LIG:G:UNX:403:.:SITE:UP:O96028:PWWP1:B",
        "PDB:5VC8:LIG:MA:UNX:413:.:SITE:UP:O96028:PWWP1:B",
        "PDB:6UE6:LIG:T:UNX:2002:.:SITE:UP:O96028:PWWP1:B",
        "PDB:6UE6:LIG:M:UNX:2005:.:SITE:UP:O96028:PWWP1:B",
        "PDB:5VC8:LIG:QA:UNX:417:.:SITE:UP:O96028:PWWP1:B",
        "PDB:5VC8:LIG:NA:UNX:414:.:SITE:UP:O96028:PWWP1:B",
        "PDB:6UE6:LIG:CA:UNX:2011:.:SITE:UP:O96028:PWWP1:B",
        "PDB:3QBY:LIG:V:UNX:98:.:SITE:UP:Q7Z4V5:PWWP1:B",
        "PDB:3QBY:LIG:T:UNX:96:.:SITE:UP:Q7Z4V5:PWWP1:B",
        "PDB:3QBY:LIG:W:UNX:99:.:SITE:UP:Q7Z4V5:PWWP1:B",
        "PDB:4Z02:LIG:N:UNX:1103:.:SITE:UP:O95696:PWWP1:B",
        "PDB:4Z02:LIG:O:UNX:1104:.:SITE:UP:O95696:PWWP1:B",
        "PDB:4Z02:LIG:M:UNX:1102:.:SITE:UP:O95696:PWWP1:B",
        "PDB:3QBY:LIG:I:UNX:98:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:3QBY:LIG:Z:UNX:96:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:3QBY:LIG:X:UNX:94:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:3QBY:LIG:Y:UNX:95:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:6UE6:LIG:JA:UNX:2006:.:SITE:UP:O96028:PWWP1:C",
        "PDB:6XCG:LIG:J:UNX:402:.:SITE:UP:O96028:PWWP1:C",
        "PDB:6UE6:LIG:IA:UNX:2005:.:SITE:UP:O96028:PWWP1:C",
        "PDB:6UE6:LIG:GA:UNX:2003:.:SITE:UP:O96028:PWWP1:C",
        "PDB:6UE6:LIG:LA:UNX:2002:.:SITE:UP:O96028:PWWP1:C",
        "PDB:6UE6:LIG:Y:UNX:2007:.:SITE:UP:O96028:PWWP1:C",
        "PDB:6UE6:LIG:HA:UNX:2004:.:SITE:UP:O96028:PWWP1:C",
        "PDB:6XCG:LIG:L:UNX:404:.:SITE:UP:O96028:PWWP1:C",
        "PDB:6UE6:LIG:MA:UNX:2003:.:SITE:UP:O96028:PWWP1:C",
        "PDB:6UE6:LIG:FA:UNX:2002:.:SITE:UP:O96028:PWWP1:C",
        "PDB:6XCG:LIG:H:UNX:404:.:SITE:UP:O96028:PWWP1:C",
        "PDB:6XCG:LIG:K:UNX:403:.:SITE:UP:O96028:PWWP1:C",
        "PDB:6UE6:LIG:AA:UNX:2009:.:SITE:UP:O96028:PWWP1:C",
        "PDB:6UE6:LIG:X:UNX:2006:.:SITE:UP:O96028:PWWP1:C",
        "PDB:6UE6:LIG:NA:UNX:2004:.:SITE:UP:O96028:PWWP1:D",
        "PDB:7LMT:LIG:O:UNX:402:.:SITE:UP:O96028:PWWP1:D",
        "PDB:7MDN:LIG:O:UNX:402:.:SITE:UP:O96028:PWWP1:D",
        "PDB:6UE6:LIG:MA:UNX:2003:.:SITE:UP:O96028:PWWP1:D",
        "PDB:6UE6:LIG:FA:UNX:2002:.:SITE:UP:O96028:PWWP1:D",
        "PDB:6UE6:LIG:IA:UNX:2005:.:SITE:UP:O96028:PWWP1:D",
        "PDB:6UE6:LIG:LA:UNX:2002:.:SITE:UP:O96028:PWWP1:D",
        "PDB:6UE6:LIG:PA:UNX:2002:.:SITE:UP:O96028:PWWP1:E",
        "PDB:6UE6:LIG:QA:UNX:2003:.:SITE:UP:O96028:PWWP1:E",
        "PDB:7LMT:LIG:O:UNX:402:.:SITE:UP:O96028:PWWP1:E",
        "PDB:7MDN:LIG:O:UNX:402:.:SITE:UP:O96028:PWWP1:E",
        "PDB:6UE6:LIG:RA:UNX:2004:.:SITE:UP:O96028:PWWP1:E",
        "PDB:6UE6:LIG:TA:UNX:2006:.:SITE:UP:O96028:PWWP1:E",
        "PDB:6UE6:LIG:SA:UNX:2005:.:SITE:UP:O96028:PWWP1:E",
        "PDB:6UE6:LIG:VA:UNX:2002:.:SITE:UP:O96028:PWWP1:F",
        "PDB:7MDN:LIG:J:UNX:402:.:SITE:UP:O96028:PWWP1:F",
        "PDB:7LMT:LIG:J:UNX:402:.:SITE:UP:O96028:PWWP1:F",
        "PDB:6UE6:LIG:WA:UNX:2003:.:SITE:UP:O96028:PWWP1:F",
        "PDB:6UE6:LIG:TA:UNX:2006:.:SITE:UP:O96028:PWWP1:F",
        "PDB:6UE6:LIG:XA:UNX:2004:.:SITE:UP:O96028:PWWP1:F",
        "PDB:6UE6:LIG:YA:UNX:2005:.:SITE:UP:O96028:PWWP1:F",
        "PDB:6UE6:LIG:KB:UNX:2012:.:SITE:UP:O96028:PWWP1:G",
        "PDB:6UE6:LIG:JB:UNX:2011:.:SITE:UP:O96028:PWWP1:G",
        "PDB:6UE6:LIG:DB:UNX:2005:.:SITE:UP:O96028:PWWP1:G",
        "PDB:6UE6:LIG:EB:UNX:2006:.:SITE:UP:O96028:PWWP1:G",
        "PDB:6UE6:LIG:FB:UNX:2007:.:SITE:UP:O96028:PWWP1:G",
        "PDB:6UE6:LIG:IB:UNX:2010:.:SITE:UP:O96028:PWWP1:G",
        "PDB:6UE6:LIG:BB:UNX:2003:.:SITE:UP:O96028:PWWP1:G",
        "PDB:6UE6:LIG:HB:UNX:2009:.:SITE:UP:O96028:PWWP1:G",
        "PDB:6UE6:LIG:GB:UNX:2008:.:SITE:UP:O96028:PWWP1:G",
        "PDB:6UE6:LIG:AB:UNX:2002:.:SITE:UP:O96028:PWWP1:G",
        "PDB:6UE6:LIG:CB:UNX:2004:.:SITE:UP:O96028:PWWP1:G",
        "PDB:6UE6:LIG:XA:UNX:2004:.:SITE:UP:O96028:PWWP1:G",
        "PDB:6UE6:LIG:MB:UNX:2002:.:SITE:UP:O96028:PWWP1:H",
        "PDB:6UE6:LIG:OB:UNX:2004:.:SITE:UP:O96028:PWWP1:H",
        "PDB:6UE6:LIG:NB:UNX:2003:.:SITE:UP:O96028:PWWP1:H",
        "PDB:6UE6:LIG:GB:UNX:2008:.:SITE:UP:O96028:PWWP1:H",
        "PDB:6UE6:LIG:RA:UNX:2004:.:SITE:UP:O96028:PWWP1:H",
        "PDB:6UE6:LIG:JB:UNX:2011:.:SITE:UP:O96028:PWWP1:H",
        "PDB:6UE6:LIG:AB:UNX:2002:.:SITE:UP:O96028:PWWP1:H"
      ],
      "verification_status": "source_scoped_mixed",
      "rule": "Independent source observations + per-site coordinate role, not universal pharmacology",
      "uncertainty": "Classification is evidence- and experiment-scoped; missing assays do not prove nonbinding."
    },
    {
      "compound_id": "CCD_UNRESOLVED:UNL",
      "chemical_id": "CCD_UNRESOLVED:UNL",
      "entity_kind": "chemical_identity",
      "name": "Unknown ligand",
      "identity_resolved": false,
      "studied_compound": false,
      "structural_research_ligand": false,
      "other_pdb_component": false,
      "verification_queue": true,
      "reported_probe": false,
      "reported_control": false,
      "positive_direct_binder": false,
      "cellular_activity": false,
      "protein_degradation": false,
      "measured_observation_count": 0,
      "total_observation_count": 0,
      "structural_research_site_count": 0,
      "other_site_count": 0,
      "uncertain_site_count": 2,
      "annotation_roles": [
        "unresolved"
      ],
      "primary_view": "unresolved",
      "source_observation_ids": [],
      "source_site_ids": [
        "PDB:3PMI:LIG:H:UNL:20:.:SITE:UP:Q2TAK8:PWWP1:C",
        "PDB:3PMI:LIG:I:UNL:21:.:SITE:UP:Q2TAK8:PWWP1:D"
      ],
      "verification_status": "source_scoped_mixed",
      "rule": "Independent source observations + per-site coordinate role, not universal pharmacology",
      "uncertainty": "Classification is evidence- and experiment-scoped; missing assays do not prove nonbinding."
    },
    {
      "compound_id": "INCHIKEY:JQSHBVHOMNKWFT-DTORHVGOSA-N",
      "chemical_id": "INCHIKEY:JQSHBVHOMNKWFT-DTORHVGOSA-N",
      "entity_kind": "chemical_identity",
      "name": "varenicline",
      "identity_resolved": true,
      "studied_compound": true,
      "structural_research_ligand": true,
      "other_pdb_component": false,
      "verification_queue": false,
      "reported_probe": false,
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      "positive_direct_binder": true,
      "cellular_activity": false,
      "protein_degradation": false,
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      "total_observation_count": 2,
      "structural_research_site_count": 1,
      "other_site_count": 0,
      "uncertain_site_count": 0,
      "annotation_roles": [
        "studied",
        "structural"
      ],
      "primary_view": "studied",
      "source_observation_ids": [
        "PWWP:ASSAY:0010",
        "PWWP5:ASSAY:0027"
      ],
      "source_site_ids": [
        "PDB:8Z6O:LIG:D:QMR:101:.:SITE:UP:Q7Z4V5:PWWP1:B"
      ],
      "verification_status": "source_scoped_mixed",
      "rule": "Independent source observations + per-site coordinate role, not universal pharmacology",
      "uncertainty": "Classification is evidence- and experiment-scoped; missing assays do not prove nonbinding."
    },
    {
      "compound_id": "INCHIKEY:XLYOFNOQVPJJNP-UHFFFAOYSA-N",
      "chemical_id": "INCHIKEY:XLYOFNOQVPJJNP-UHFFFAOYSA-N",
      "entity_kind": "chemical_identity",
      "name": "WATER",
      "identity_resolved": true,
      "studied_compound": false,
      "structural_research_ligand": false,
      "other_pdb_component": false,
      "verification_queue": false,
      "reported_probe": false,
      "reported_control": false,
      "positive_direct_binder": false,
      "cellular_activity": false,
      "protein_degradation": false,
      "measured_observation_count": 0,
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      "structural_research_site_count": 0,
      "other_site_count": 0,
      "uncertain_site_count": 0,
      "annotation_roles": [],
      "primary_view": "unresolved",
      "source_observation_ids": [],
      "source_site_ids": [],
      "verification_status": "source_association_unresolved",
      "rule": "Independent source observations + per-site coordinate role, not universal pharmacology",
      "uncertainty": "Classification is evidence- and experiment-scoped; missing assays do not prove nonbinding."
    },
    {
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "entity_kind": "chemical_identity",
      "name": "ZINC ION",
      "identity_resolved": true,
      "studied_compound": false,
      "structural_research_ligand": false,
      "other_pdb_component": false,
      "verification_queue": true,
      "reported_probe": false,
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      "positive_direct_binder": false,
      "cellular_activity": false,
      "protein_degradation": false,
      "measured_observation_count": 0,
      "total_observation_count": 0,
      "structural_research_site_count": 0,
      "other_site_count": 0,
      "uncertain_site_count": 379,
      "annotation_roles": [
        "unresolved"
      ],
      "primary_view": "unresolved",
      "source_observation_ids": [],
      "source_site_ids": [
        "PDB:4COS:LIG:D:ZN:1402:.:SITE:UP:Q9ULU4:PWWP1:A",
        "PDB:9T2F:LIG:D:ZN:503:.:SITE:UP:Q9ULU4:PWWP1:A",
        "PDB:9T2G:LIG:D:ZN:503:.:SITE:UP:Q9ULU4:PWWP1:A",
        "PDB:5B73:LIG:C:ZN:502:.:SITE:UP:Q9ULU4:PWWP1:A",
        "PDB:5B73:LIG:D:ZN:503:.:SITE:UP:Q9ULU4:PWWP1:A",
        "PDB:8EIH:LIG:G:ZN:902:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:8EIJ:LIG:E:ZN:902:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:8EII:LIG:F:ZN:902:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:8EIK:LIG:H:ZN:902:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:8EII:LIG:G:ZN:903:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:8EIH:LIG:H:ZN:903:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:8EIK:LIG:I:ZN:903:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:8EIJ:LIG:F:ZN:903:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:8EIJ:LIG:G:ZN:904:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:8EIK:LIG:J:ZN:904:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:8EIH:LIG:I:ZN:904:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:8EII:LIG:H:ZN:904:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:9PRW:LIG:F:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:A",
        "PDB:11OA:LIG:S:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:A",
        "PDB:11OI:LIG:P:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:E",
        "PDB:9MPO:LIG:G:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:A",
        "PDB:9LQ1:LIG:I:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:A",
        "PDB:11OA:LIG:T:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:A",
        "PDB:9PRW:LIG:G:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:A",
        "PDB:11OI:LIG:Q:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:E",
        "PDB:9MPO:LIG:H:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:A",
        "PDB:9LQ1:LIG:H:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:A",
        "PDB:11OA:LIG:U:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:A",
        "PDB:9PRW:LIG:H:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:A",
        "PDB:11OI:LIG:R:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:E",
        "PDB:9MPO:LIG:I:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:A",
        "PDB:9LQ1:LIG:G:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:A",
        "PDB:4COS:LIG:C:ZN:1401:.:SITE:UP:Q9ULU4:PWWP1:A",
        "PDB:9T2G:LIG:C:ZN:502:.:SITE:UP:Q9ULU4:PWWP1:A",
        "PDB:9T2F:LIG:C:ZN:502:.:SITE:UP:Q9ULU4:PWWP1:A",
        "PDB:8EII:LIG:J:ZN:902:.:SITE:UP:Q9UBC3:PWWP1:B",
        "PDB:8EIH:LIG:K:ZN:902:.:SITE:UP:Q9UBC3:PWWP1:B",
        "PDB:8EIJ:LIG:I:ZN:902:.:SITE:UP:Q9UBC3:PWWP1:B",
        "PDB:8EIK:LIG:L:ZN:902:.:SITE:UP:Q9UBC3:PWWP1:B",
        "PDB:8EIJ:LIG:J:ZN:903:.:SITE:UP:Q9UBC3:PWWP1:B",
        "PDB:8EII:LIG:K:ZN:903:.:SITE:UP:Q9UBC3:PWWP1:B",
        "PDB:8EIH:LIG:L:ZN:903:.:SITE:UP:Q9UBC3:PWWP1:B",
        "PDB:8EIK:LIG:M:ZN:903:.:SITE:UP:Q9UBC3:PWWP1:B",
        "PDB:8EIK:LIG:N:ZN:904:.:SITE:UP:Q9UBC3:PWWP1:B",
        "PDB:8EIH:LIG:M:ZN:904:.:SITE:UP:Q9UBC3:PWWP1:B",
        "PDB:8EII:LIG:L:ZN:904:.:SITE:UP:Q9UBC3:PWWP1:B",
        "PDB:8EIJ:LIG:K:ZN:904:.:SITE:UP:Q9UBC3:PWWP1:B",
        "PDB:11NZ:LIG:M:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:B",
        "PDB:11OA:LIG:W:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:B",
        "PDB:11OH:LIG:N:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:D",
        "PDB:11OI:LIG:T:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:F",
        "PDB:11NZ:LIG:N:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:B",
        "PDB:11OA:LIG:X:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:B",
        "PDB:11OH:LIG:O:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:D",
        "PDB:11OI:LIG:U:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:F",
        "PDB:11NZ:LIG:O:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:B",
        "PDB:11OA:LIG:Y:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:B",
        "PDB:11OH:LIG:P:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:D",
        "PDB:11OI:LIG:V:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:F",
        "PDB:5Y1Z:LIG:H:ZN:503:.:SITE:UP:Q9ULU4:PWWP1:C",
        "PDB:5Y1Z:LIG:M:ZN:502:.:SITE:UP:Q9ULU4:PWWP1:C",
        "PDB:8EIH:LIG:N:ZN:901:.:SITE:UP:Q9UBC3:PWWP1:C",
        "PDB:8EII:LIG:M:ZN:901:.:SITE:UP:Q9UBC3:PWWP1:C",
        "PDB:8EIK:LIG:P:ZN:902:.:SITE:UP:Q9UBC3:PWWP1:D",
        "PDB:8EII:LIG:N:ZN:902:.:SITE:UP:Q9UBC3:PWWP1:C",
        "PDB:8EIH:LIG:O:ZN:902:.:SITE:UP:Q9UBC3:PWWP1:C",
        "PDB:8EIK:LIG:Q:ZN:903:.:SITE:UP:Q9UBC3:PWWP1:D",
        "PDB:8EII:LIG:O:ZN:903:.:SITE:UP:Q9UBC3:PWWP1:C",
        "PDB:8EIH:LIG:P:ZN:903:.:SITE:UP:Q9UBC3:PWWP1:C",
        "PDB:8EIK:LIG:R:ZN:904:.:SITE:UP:Q9UBC3:PWWP1:D",
        "PDB:11OI:LIG:H:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:A",
        "PDB:11OH:LIG:F:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:B",
        "PDB:11NZ:LIG:P:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:C",
        "PDB:11OA:LIG:BA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:C",
        "PDB:11OI:LIG:I:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:A",
        "PDB:11OH:LIG:G:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:B",
        "PDB:11NZ:LIG:Q:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:C",
        "PDB:11OA:LIG:CA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:C",
        "PDB:11OI:LIG:J:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:A",
        "PDB:11OH:LIG:H:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:B",
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        "PDB:9E3R:LIG:AA:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:S",
        "PDB:9E2R:LIG:AA:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:S",
        "PDB:9E3D:LIG:W:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:S",
        "PDB:9E2Q:LIG:AA:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:S",
        "PDB:9E05:LIG:AA:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:S",
        "PDB:9E00:LIG:AA:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:S",
        "PDB:9Q7U:LIG:P:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:K",
        "PDB:9E0F:LIG:F:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:9E3U:LIG:Q:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:L",
        "PDB:9E2D:LIG:BA:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:Q",
        "PDB:9E2R:LIG:BA:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:S",
        "PDB:9E3D:LIG:X:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:S",
        "PDB:9E3R:LIG:BA:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:S",
        "PDB:9E2Q:LIG:BA:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:S",
        "PDB:9E05:LIG:BA:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:S",
        "PDB:9E00:LIG:BA:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:S",
        "PDB:9Q7U:LIG:Q:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:K",
        "PDB:9E0F:LIG:G:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:9E3U:LIG:R:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:L",
        "PDB:9E2D:LIG:CA:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:Q",
        "PDB:9E3R:LIG:CA:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:S",
        "PDB:9E3D:LIG:Y:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:S",
        "PDB:9E2R:LIG:CA:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:S",
        "PDB:9E2Q:LIG:CA:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:S",
        "PDB:9E05:LIG:CA:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:S",
        "PDB:9E00:LIG:CA:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:S",
        "PDB:9E0G:LIG:H:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:C",
        "PDB:9E2D:LIG:OA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:W",
        "PDB:9E05:LIG:OA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:Y",
        "PDB:9E2R:LIG:OA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:Y",
        "PDB:9E3R:LIG:OA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:Y",
        "PDB:9E2Q:LIG:OA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:Y",
        "PDB:9E0G:LIG:I:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:C",
        "PDB:9E2D:LIG:PA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:W",
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        "PDB:9E2R:LIG:PA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:Y",
        "PDB:9E2Q:LIG:PA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:Y",
        "PDB:9E3R:LIG:PA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:Y",
        "PDB:9E0G:LIG:J:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:C",
        "PDB:9E2D:LIG:QA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:W",
        "PDB:9E05:LIG:QA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:Y",
        "PDB:9E2R:LIG:QA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:Y",
        "PDB:9E3R:LIG:QA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:Y",
        "PDB:9E2Q:LIG:QA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:Y",
        "PDB:9E0F:LIG:L:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:D",
        "PDB:9E3U:LIG:W:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:O",
        "PDB:9E2D:LIG:HA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:T",
        "PDB:9E3R:LIG:IA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:V",
        "PDB:9E3D:LIG:DA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:V",
        "PDB:9E2R:LIG:HA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:V",
        "PDB:9E2Q:LIG:HA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:V",
        "PDB:9E05:LIG:HA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:V",
        "PDB:9E00:LIG:EA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:V",
        "PDB:9E0F:LIG:M:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:D",
        "PDB:9E3U:LIG:X:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:O",
        "PDB:9E2D:LIG:IA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:T",
        "PDB:9E3R:LIG:JA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:V",
        "PDB:9E2R:LIG:IA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:V",
        "PDB:9E3D:LIG:EA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:V",
        "PDB:9E2Q:LIG:IA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:V",
        "PDB:9E05:LIG:IA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:V",
        "PDB:9E00:LIG:FA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:V",
        "PDB:9E0F:LIG:N:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:D",
        "PDB:9E3U:LIG:Y:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:O",
        "PDB:9E2D:LIG:JA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:T",
        "PDB:9E3R:LIG:KA:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:V",
        "PDB:9E3D:LIG:FA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:V",
        "PDB:9E2R:LIG:JA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:V",
        "PDB:9E2Q:LIG:JA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:V",
        "PDB:9E05:LIG:JA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:V",
        "PDB:9E00:LIG:GA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:V",
        "PDB:9Y4P:LIG:DA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:U",
        "PDB:9Y4P:LIG:EA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:U",
        "PDB:9Y4P:LIG:FA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:U",
        "PDB:9Y4P:LIG:AA:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:S",
        "PDB:9Y4P:LIG:BA:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:S",
        "PDB:9Y4P:LIG:CA:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:S",
        "PDB:9Y4P:LIG:HA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:V",
        "PDB:9Y4P:LIG:IA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:V",
        "PDB:9Y4P:LIG:JA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:V",
        "PDB:9Y4P:LIG:SA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:Z",
        "PDB:9Y4P:LIG:TA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:Z",
        "PDB:9Y4P:LIG:UA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:Z",
        "PDB:9Y4P:LIG:LA:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:W",
        "PDB:9Y4P:LIG:MA:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:W",
        "PDB:9Y4P:LIG:NA:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:W",
        "PDB:9Y4P:LIG:OA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:Y",
        "PDB:9Y4P:LIG:PA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:Y",
        "PDB:9Y4P:LIG:QA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:Y",
        "PDB:3PFS:LIG:C:ZN:1200:.:SITE:UP:Q9ULD4:PWWP1:A",
        "PDB:4COS:LIG:B:ZN:1400:.:SITE:UP:Q9ULU4:PWWP1:A",
        "PDB:9T2F:LIG:E:ZN:504:.:SITE:UP:Q9ULU4:PWWP1:A",
        "PDB:9T2G:LIG:B:ZN:501:.:SITE:UP:Q9ULU4:PWWP1:A",
        "PDB:4NS5:LIG:B:ZN:401:.:SITE:UP:Q15326:PWWP1:A",
        "PDB:4N4H:LIG:C:ZN:401:.:SITE:UP:Q8R5C8:PWWP1:A",
        "PDB:4N4G:LIG:B:ZN:401:.:SITE:UP:Q8R5C8:PWWP1:A",
        "PDB:4N4I:LIG:C:ZN:401:.:SITE:UP:Q8R5C8:PWWP1:A",
        "PDB:5B73:LIG:B:ZN:501:.:SITE:UP:Q9ULU4:PWWP1:A",
        "PDB:3PFS:LIG:E:ZN:1200:.:SITE:UP:Q9ULD4:PWWP1:B",
        "PDB:5Y1Z:LIG:G:ZN:502:.:SITE:UP:Q9ULU4:PWWP1:C",
        "PDB:5Y1Z:LIG:N:ZN:503:.:SITE:UP:Q9ULU4:PWWP1:D"
      ],
      "verification_status": "source_scoped_mixed",
      "rule": "Independent source observations + per-site coordinate role, not universal pharmacology",
      "uncertainty": "Classification is evidence- and experiment-scoped; missing assays do not prove nonbinding."
    },
    {
      "compound_id": "INCHIKEY:YWRNHBFWWBSTNH-QMMMGPOBSA-N",
      "chemical_id": "INCHIKEY:YWRNHBFWWBSTNH-QMMMGPOBSA-N",
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      "source_site_ids": [
        "PDB:7HGG:LIG:J:A1A4B:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGG:LIG:J:A1A4B:103:.:SITE:UP:Q7Z4V5:PWWP1:B"
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    },
    {
      "compound_id": "INCHIKEY:LZXLHLSTUPFULX-UHFFFAOYSA-N",
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      "entity_kind": "chemical_identity",
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        "PDB:7HGV:LIG:G:A1A33:104:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGV:LIG:K:A1A33:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGV:LIG:K:A1A33:103:.:SITE:UP:Q7Z4V5:PWWP1:B",
        "PDB:7HGV:LIG:M:A1A33:102:.:SITE:UP:Q7Z4V5:PWWP1:C"
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      "verification_status": "source_scoped_mixed",
      "rule": "Independent source observations + per-site coordinate role, not universal pharmacology",
      "uncertainty": "Classification is evidence- and experiment-scoped; missing assays do not prove nonbinding."
    },
    {
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      "entity_kind": "chemical_identity",
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      "primary_view": "structural",
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      "source_site_ids": [
        "PDB:6G2E:LIG:B:EHH:401:.:SITE:UP:Q9BZ95:PWWP1:A"
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      "verification_status": "source_scoped_mixed",
      "rule": "Independent source observations + per-site coordinate role, not universal pharmacology",
      "uncertainty": "Classification is evidence- and experiment-scoped; missing assays do not prove nonbinding."
    },
    {
      "compound_id": "INCHIKEY:ZSRUKYFBDGVFQS-UHFFFAOYSA-N",
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      "entity_kind": "chemical_identity",
      "name": "[3-[(5-bromanylpyridin-3-yl)methylamino]phenyl]methanol",
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      "primary_view": "structural",
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      "source_site_ids": [
        "PDB:9G91:LIG:D:A1II3:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:9G91:LIG:G:A1II3:101:.:SITE:UP:Q7Z4V5:PWWP1:B"
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      "verification_status": "source_scoped_mixed",
      "rule": "Independent source observations + per-site coordinate role, not universal pharmacology",
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    },
    {
      "compound_id": "INCHIKEY:GZINCFOQQRVKFL-UHFFFAOYSA-N",
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      "entity_kind": "chemical_identity",
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      "primary_view": "structural",
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      "source_site_ids": [
        "PDB:7HGA:LIG:J:TU6:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
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      "verification_status": "source_scoped_mixed",
      "rule": "Independent source observations + per-site coordinate role, not universal pharmacology",
      "uncertainty": "Classification is evidence- and experiment-scoped; missing assays do not prove nonbinding."
    },
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      "compound_id": "PREP:DEFREITAS2021_1",
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      "name": "compound 1 (de Freitas 2021)",
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      "verification_status": "source_scoped_mixed",
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      "entity_kind": "experimental_preparation",
      "name": "compound 11 (Collie 2025)",
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      "verification_status": "source_scoped_mixed",
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      "endpoint": "Kd",
      "method": "SPR",
      "source_id": "S05",
      "source_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/",
      "source_location": "Table 1",
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    },
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      "source_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/",
      "source_location": "Table 1",
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      "source_id": "S05",
      "source_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/",
      "source_location": "Table 1",
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      "verification_status": "primary_full_text_sections_verified",
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    },
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      "method": "SPR",
      "source_id": "S05",
      "source_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/",
      "source_location": "Table 1",
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      "verification_status": "primary_full_text_sections_verified",
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    },
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      "source_id": "S05",
      "source_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/",
      "source_location": "Table 1",
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      "verification_status": "primary_full_text_sections_verified",
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    },
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      "source_id": "S05",
      "source_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/",
      "source_location": "Table 1",
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    },
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      "source_id": "S05",
      "source_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/",
      "source_location": "Table 1",
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      "verification_status": "primary_full_text_sections_verified",
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    },
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      "source_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/",
      "source_location": "Table 1",
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      "verification_status": "primary_full_text_sections_verified",
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      "source_location": "Table 1",
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      "source_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/",
      "source_location": "Table 1 NSD3 (263–398) column",
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      "verification_status": "source_scope_unresolved",
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      "verification_status": "source_scope_unresolved",
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      "verification_status": "source_scope_unresolved",
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      "source_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/",
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      "verification_status": "source_scope_unresolved",
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      "source_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/",
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      "verification_status": "source_scope_unresolved",
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      "source_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/",
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      "verification_status": "source_scope_unresolved",
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      "observation_id": "PWWP11:ASSAY:0007",
      "compound_id": "PREP:COLLIE2025_13",
      "preparation_id": "PREP:COLLIE2025_13",
      "chemical_id": null,
      "protein_id": "UP:Q9BZ95",
      "domain_id": "UP:Q9BZ95:PWWP1",
      "target_scope": "domain_specific",
      "target_variant": null,
      "molecular_entity_type": "small_molecule_preparation",
      "source_role": "counter_target_assay",
      "evidence_type": "negative_binding",
      "measured": true,
      "studied_compound": true,
      "positive_direct_binder": false,
      "reported_probe": false,
      "reported_control": false,
      "reported_cellular": false,
      "explicitly_negative": true,
      "value": null,
      "operator": null,
      "units": null,
      "endpoint": "Kd",
      "method": "SPR",
      "source_id": "S05",
      "source_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/",
      "source_location": "Table 1 NSD3 (263–398) column",
      "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected",
      "verification_status": "source_scope_unresolved",
      "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.",
      "rule": "Phase5 source-curated evidence_class, material, target_scope, source role; no inferred affinities"
    },
    {
      "observation_id": "PWWP:ASSAY:0004",
      "compound_id": "INCHIKEY:KOZGEDUWAQFVAV-UHFFFAOYSA-N",
      "preparation_id": "PREP:UNC6934",
      "chemical_id": "INCHIKEY:KOZGEDUWAQFVAV-UHFFFAOYSA-N",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "target_scope": "domain_specific",
      "target_variant": null,
      "molecular_entity_type": "small_molecule_preparation",
      "source_role": "reported_chemical_probe",
      "evidence_type": "direct_binding",
      "measured": true,
      "studied_compound": true,
      "positive_direct_binder": true,
      "reported_probe": true,
      "reported_control": false,
      "reported_cellular": false,
      "explicitly_negative": false,
      "value": 91.0,
      "operator": "=",
      "units": "nM",
      "endpoint": "Kd",
      "method": "SPR",
      "source_id": "S02",
      "source_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC9189931/",
      "source_location": "Results; Figures 1–2",
      "source_verification_scope": "Phase 3 primary full-text Methods, Results and figure legends through official NCBI BioC; actual publisher supplement; assay-specific scope retained",
      "verification_status": "primary_full_text_sections_verified",
      "remaining_uncertainty": "SPR temperature and exact uncertainty definition are not specified in the inspected assay-specific source. Triplicate experiments reported. Preparation/assay construct differs from crystallization 211–350.",
      "rule": "Phase5 source-curated evidence_class, material, target_scope, source role; no inferred affinities"
    },
    {
      "observation_id": "PWWP:ASSAY:0007",
      "compound_id": "INCHIKEY:HUIINGSTUYTZJL-UHFFFAOYSA-N",
      "preparation_id": "PREP:UNC7145",
      "chemical_id": null,
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "target_scope": "domain_specific",
      "target_variant": null,
      "molecular_entity_type": "small_molecule_preparation",
      "source_role": "negative_control",
      "evidence_type": "negative_binding",
      "measured": true,
      "studied_compound": true,
      "positive_direct_binder": false,
      "reported_probe": false,
      "reported_control": true,
      "reported_cellular": false,
      "explicitly_negative": true,
      "value": null,
      "operator": null,
      "units": "µM",
      "endpoint": "Qualitative / association",
      "method": "SPR no appreciable binding",
      "source_id": "S02",
      "source_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC9189931/",
      "source_location": "Results: Discovery of a potent ligand targeting NSD2-PWWP1",
      "source_verification_scope": "Phase 3 primary full-text Methods, Results and figure legends through official NCBI BioC; actual publisher supplement; assay-specific scope retained",
      "verification_status": "primary_full_text_sections_verified",
      "remaining_uncertainty": "Primary-source concentration discrepancy: Results report no appreciable binding up to 20 uM, but SPR Methods state 2 uM as highest concentration. Neither is converted into a Kd bound; human source review required.",
      "rule": "Phase5 source-curated evidence_class, material, target_scope, source role; no inferred affinities"
    },
    {
      "observation_id": "PWWP:ASSAY:0002",
      "compound_id": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N",
      "preparation_id": "PREP:MR837",
      "chemical_id": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "target_scope": "domain_specific",
      "target_variant": null,
      "molecular_entity_type": "small_molecule_preparation",
      "source_role": "experimentally_studied_ligand",
      "evidence_type": "direct_binding",
      "measured": true,
      "studied_compound": true,
      "positive_direct_binder": true,
      "reported_probe": false,
      "reported_control": false,
      "reported_cellular": false,
      "explicitly_negative": false,
      "value": 3.4,
      "operator": "=",
      "units": "µM",
      "endpoint": "Kd",
      "method": "SPR",
      "source_id": "S01",
      "source_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC8130708/",
      "source_location": "Results; Figure S6",
      "source_verification_scope": "primary_article_selected_indexed_full_text_passages; original figures and supplement not independently opened",
      "verification_status": "primary_full_text_sections_verified",
      "remaining_uncertainty": "Full assay buffer, temperature and incubation metadata not transcribed; null means uncurated, not absent.",
      "rule": "Phase5 source-curated evidence_class, material, target_scope, source role; no inferred affinities"
    },
    {
      "observation_id": "PWWP5:ASSAY:0001",
      "compound_id": "INCHIKEY:WOAOENGFAAUUGT-UHFFFAOYSA-N",
      "preparation_id": "PREP:BI-9321",
      "chemical_id": "INCHIKEY:WOAOENGFAAUUGT-UHFFFAOYSA-N",
      "protein_id": "UP:Q9BZ95",
      "domain_id": "UP:Q9BZ95:PWWP1",
      "target_scope": "domain_specific",
      "target_variant": null,
      "molecular_entity_type": "small_molecule_preparation",
      "source_role": "experimentally_studied_ligand",
      "evidence_type": "direct_binding",
      "measured": true,
      "studied_compound": true,
      "positive_direct_binder": true,
      "reported_probe": false,
      "reported_control": false,
      "reported_cellular": false,
      "explicitly_negative": false,
      "value": 1.7,
      "operator": "=",
      "units": "µM",
      "endpoint": "Kd",
      "method": "ITC",
      "source_id": "P5:S:XU2022",
      "source_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC8882712/",
      "source_location": "Results and Figure 2B-D; STAR Methods: ITC",
      "source_verification_scope": "NCBI BioC primary full text; Results, ITC Methods and Figure 2/3 captions inspected",
      "verification_status": "primary_source_verified",
      "remaining_uncertainty": "Primary manuscript and Methods inspected; individual raw titration files not re-fitted. BI-9321 is a distinct study-specific ITC measurement, not the original 2019 SPR result.",
      "rule": "Phase5 source-curated evidence_class, material, target_scope, source role; no inferred affinities"
    },
    {
      "observation_id": "PWWP5:ASSAY:0002",
      "compound_id": "INCHIKEY:RWXCSOWWDBANDF-LPFSXYLXSA-N",
      "preparation_id": "PREP:MS9715",
      "chemical_id": "INCHIKEY:RWXCSOWWDBANDF-LPFSXYLXSA-N",
      "protein_id": "UP:Q9BZ95",
      "domain_id": "UP:Q9BZ95:PWWP1",
      "target_scope": "domain_specific",
      "target_variant": null,
      "molecular_entity_type": "small_molecule_preparation",
      "source_role": "reported_degrader",
      "evidence_type": "direct_binding",
      "measured": true,
      "studied_compound": true,
      "positive_direct_binder": true,
      "reported_probe": false,
      "reported_control": false,
      "reported_cellular": false,
      "explicitly_negative": false,
      "value": 1.3,
      "operator": "=",
      "units": "µM",
      "endpoint": "Kd",
      "method": "ITC",
      "source_id": "P5:S:XU2022",
      "source_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC8882712/",
      "source_location": "Results and Figure 2B-D; STAR Methods: ITC",
      "source_verification_scope": "NCBI BioC primary full text; Results, ITC Methods and Figure 2/3 captions inspected",
      "verification_status": "primary_source_verified",
      "remaining_uncertainty": "Primary manuscript and Methods inspected; individual raw titration files not re-fitted. BI-9321 is a distinct study-specific ITC measurement, not the original 2019 SPR result.",
      "rule": "Phase5 source-curated evidence_class, material, target_scope, source role; no inferred affinities"
    },
    {
      "observation_id": "PWWP5:ASSAY:0003",
      "compound_id": "PREP:MS9715N",
      "preparation_id": "PREP:MS9715N",
      "chemical_id": null,
      "protein_id": "UP:Q9BZ95",
      "domain_id": "UP:Q9BZ95:PWWP1",
      "target_scope": "domain_specific",
      "target_variant": null,
      "molecular_entity_type": "small_molecule_preparation",
      "source_role": "negative_control",
      "evidence_type": "direct_binding",
      "measured": true,
      "studied_compound": true,
      "positive_direct_binder": true,
      "reported_probe": false,
      "reported_control": true,
      "reported_cellular": false,
      "explicitly_negative": false,
      "value": 1.62,
      "operator": "=",
      "units": "µM",
      "endpoint": "Kd",
      "method": "ITC",
      "source_id": "P5:S:XU2022",
      "source_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC8882712/",
      "source_location": "Results and Figure 2B-D; STAR Methods: ITC",
      "source_verification_scope": "NCBI BioC primary full text; Results, ITC Methods and Figure 2/3 captions inspected",
      "verification_status": "primary_source_verified",
      "remaining_uncertainty": "Primary manuscript and Methods inspected; individual raw titration files not re-fitted. BI-9321 is a distinct study-specific ITC measurement, not the original 2019 SPR result.",
      "rule": "Phase5 source-curated evidence_class, material, target_scope, source role; no inferred affinities"
    },
    {
      "observation_id": "PWWP:ASSAY:0008",
      "compound_id": "INCHIKEY:WOAOENGFAAUUGT-UHFFFAOYSA-N",
      "preparation_id": "PREP:BI-9321",
      "chemical_id": "INCHIKEY:WOAOENGFAAUUGT-UHFFFAOYSA-N",
      "protein_id": "UP:Q9BZ95",
      "domain_id": "UP:Q9BZ95:PWWP1",
      "target_scope": "domain_specific",
      "target_variant": null,
      "molecular_entity_type": "small_molecule_preparation",
      "source_role": "reported_chemical_probe",
      "evidence_type": "direct_binding",
      "measured": true,
      "studied_compound": true,
      "positive_direct_binder": true,
      "reported_probe": true,
      "reported_control": false,
      "reported_cellular": false,
      "explicitly_negative": false,
      "value": 166.0,
      "operator": "=",
      "units": "nM",
      "endpoint": "Kd",
      "method": "SPR",
      "source_id": "S03",
      "source_url": "https://www.thesgc.org/chemical-probes/bi-9321",
      "source_location": "SGC probe developer report: Overview",
      "source_verification_scope": "Phase 3 actual publisher Supplementary Table 7 and official Figure 3/4 captions; selected indexed accepted-manuscript Methods, full PDF unavailable (403); developer identity page",
      "verification_status": "primary_developer_assay_report_verified",
      "remaining_uncertainty": "Primary replicate conflict: Figure 3a states n=3 independent experiments, while Supplementary Table 7 states SPR n=4; both report SD. Indexed primary SPR Methods supply residues 263–398 and buffer, but the full PDF was unavailable. Exact assay temperature, mutations and per-dose contact times remain not inspected.",
      "rule": "Phase5 source-curated evidence_class, material, target_scope, source role; no inferred affinities"
    },
    {
      "observation_id": "PWWP:ASSAY:0035",
      "compound_id": "PREP:HS13",
      "preparation_id": "PREP:HS13",
      "chemical_id": null,
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "target_scope": "domain_specific",
      "target_variant": null,
      "molecular_entity_type": "small_molecule_preparation",
      "source_role": "reported_covalent_ligand",
      "evidence_type": "reported_association_unverified",
      "measured": false,
      "studied_compound": false,
      "positive_direct_binder": false,
      "reported_probe": false,
      "reported_control": false,
      "reported_cellular": false,
      "explicitly_negative": false,
      "value": null,
      "operator": null,
      "units": null,
      "endpoint": "Qualitative / association",
      "method": "Quantitative assay verification pending",
      "source_id": "S08",
      "source_url": "https://doi.org/10.1016/j.bmc.2026.118751",
      "source_location": "Abstract",
      "source_verification_scope": "PubMed_primary_article_abstract_only",
      "verification_status": "abstract_only_quantitative_verification_pending",
      "remaining_uncertainty": "Primary abstract reports Kd 8.33 µM and C294 covalency; full assay method, construct, uncertainty and exact chemical identity not verified. Main value remains null.",
      "rule": "Phase5 source-curated evidence_class, material, target_scope, source role; no inferred affinities"
    },
    {
      "observation_id": "PWWP:ASSAY:0005",
      "compound_id": "INCHIKEY:KOZGEDUWAQFVAV-UHFFFAOYSA-N",
      "preparation_id": "PREP:UNC6934",
      "chemical_id": "INCHIKEY:KOZGEDUWAQFVAV-UHFFFAOYSA-N",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "target_scope": "domain_specific",
      "target_variant": null,
      "molecular_entity_type": "small_molecule_preparation",
      "source_role": "reported_chemical_probe",
      "evidence_type": "biochemical_function",
      "measured": true,
      "studied_compound": true,
      "positive_direct_binder": false,
      "reported_probe": true,
      "reported_control": false,
      "reported_cellular": false,
      "explicitly_negative": false,
      "value": 104.0,
      "operator": "=",
      "units": "nM",
      "endpoint": "IC50",
      "method": "AlphaScreen",
      "source_id": "S02",
      "source_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC9189931/",
      "source_location": "Discussion; biochemical characterization",
      "source_verification_scope": "Phase 3 primary full-text Methods, Results and figure legends through official NCBI BioC; actual publisher supplement; assay-specific scope retained",
      "verification_status": "primary_full_text_sections_verified",
      "remaining_uncertainty": "23°C is the antagonist preincubation temperature, not a verified readout temperature. Final DMSO fraction and SD-versus-SEM definition for ±13 nM are not explicit in the inspected assay-specific text.",
      "rule": "Phase5 source-curated evidence_class, material, target_scope, source role; no inferred affinities"
    },
    {
      "observation_id": "PWWP:ASSAY:0028",
      "compound_id": "PREP:COLLIE2025_6",
      "preparation_id": "PREP:COLLIE2025_6",
      "chemical_id": null,
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "target_scope": "domain_specific",
      "target_variant": null,
      "molecular_entity_type": "small_molecule_preparation",
      "source_role": "experimentally_studied_ligand",
      "evidence_type": "biochemical_function",
      "measured": true,
      "studied_compound": true,
      "positive_direct_binder": false,
      "reported_probe": false,
      "reported_control": false,
      "reported_cellular": false,
      "explicitly_negative": false,
      "value": 1.24,
      "operator": "=",
      "units": "µM",
      "endpoint": "IC50",
      "method": "HTRF displacement",
      "source_id": "S05",
      "source_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/",
      "source_location": "Table 1",
      "source_verification_scope": "Phase 3 primary Table 1 and actual Collie supporting PDF pages 7, 9 and 14; Carlino supporting PDF contents inspected, but the inherited main-article HTRF method remains not inspected after documented access attempts.",
      "verification_status": "primary_full_text_sections_verified",
      "remaining_uncertainty": "HTRF full conditions are referenced to Carlino et al. 2024 DOI 10.1021/acs.jmedchem.4c00215. Its main protocol remains inaccessible after official repository checks. The actual supplement was inspected but contains no HTRF protocol. Table 1 reports SEM; independence level of HTRF replicates is not specified.",
      "rule": "Phase5 source-curated evidence_class, material, target_scope, source role; no inferred affinities"
    },
    {
      "observation_id": "PWWP:ASSAY:0029",
      "compound_id": "INCHIKEY:HHACEXLLNHJLFT-INIZCTEOSA-N",
      "preparation_id": "PREP:COLLIE2025_7",
      "chemical_id": "INCHIKEY:HHACEXLLNHJLFT-INIZCTEOSA-N",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "target_scope": "domain_specific",
      "target_variant": null,
      "molecular_entity_type": "small_molecule_preparation",
      "source_role": "experimentally_studied_ligand",
      "evidence_type": "biochemical_function",
      "measured": true,
      "studied_compound": true,
      "positive_direct_binder": false,
      "reported_probe": false,
      "reported_control": false,
      "reported_cellular": false,
      "explicitly_negative": false,
      "value": 0.21,
      "operator": "=",
      "units": "µM",
      "endpoint": "IC50",
      "method": "HTRF displacement",
      "source_id": "S05",
      "source_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/",
      "source_location": "Table 1",
      "source_verification_scope": "Phase 3 primary Table 1 and actual Collie supporting PDF pages 7, 9 and 14; Carlino supporting PDF contents inspected, but the inherited main-article HTRF method remains not inspected after documented access attempts.",
      "verification_status": "primary_full_text_sections_verified",
      "remaining_uncertainty": "HTRF full conditions are referenced to Carlino et al. 2024 DOI 10.1021/acs.jmedchem.4c00215. Its main protocol remains inaccessible after official repository checks. The actual supplement was inspected but contains no HTRF protocol. Table 1 reports SEM; independence level of HTRF replicates is not specified.",
      "rule": "Phase5 source-curated evidence_class, material, target_scope, source role; no inferred affinities"
    },
    {
      "observation_id": "PWWP:ASSAY:0030",
      "compound_id": "PREP:COLLIE2025_12",
      "preparation_id": "PREP:COLLIE2025_12",
      "chemical_id": null,
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "target_scope": "domain_specific",
      "target_variant": null,
      "molecular_entity_type": "small_molecule_preparation",
      "source_role": "experimentally_studied_ligand",
      "evidence_type": "biochemical_function",
      "measured": true,
      "studied_compound": true,
      "positive_direct_binder": false,
      "reported_probe": false,
      "reported_control": false,
      "reported_cellular": false,
      "explicitly_negative": false,
      "value": 2.49,
      "operator": "=",
      "units": "µM",
      "endpoint": "IC50",
      "method": "HTRF displacement",
      "source_id": "S05",
      "source_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/",
      "source_location": "Table 1",
      "source_verification_scope": "Phase 3 primary Table 1 and actual Collie supporting PDF pages 7, 9 and 14; Carlino supporting PDF contents inspected, but the inherited main-article HTRF method remains not inspected after documented access attempts.",
      "verification_status": "primary_full_text_sections_verified",
      "remaining_uncertainty": "HTRF full conditions are referenced to Carlino et al. 2024 DOI 10.1021/acs.jmedchem.4c00215. Its main protocol remains inaccessible after official repository checks. The actual supplement was inspected but contains no HTRF protocol. Table 1 reports SEM; independence level of HTRF replicates is not specified.",
      "rule": "Phase5 source-curated evidence_class, material, target_scope, source role; no inferred affinities"
    },
    {
      "observation_id": "PWWP:ASSAY:0031",
      "compound_id": "PREP:COLLIE2025_13",
      "preparation_id": "PREP:COLLIE2025_13",
      "chemical_id": null,
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "target_scope": "domain_specific",
      "target_variant": null,
      "molecular_entity_type": "small_molecule_preparation",
      "source_role": "experimentally_studied_ligand",
      "evidence_type": "biochemical_function",
      "measured": true,
      "studied_compound": true,
      "positive_direct_binder": false,
      "reported_probe": false,
      "reported_control": false,
      "reported_cellular": false,
      "explicitly_negative": false,
      "value": 1.31,
      "operator": "=",
      "units": "µM",
      "endpoint": "IC50",
      "method": "HTRF displacement",
      "source_id": "S05",
      "source_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/",
      "source_location": "Table 1",
      "source_verification_scope": "Phase 3 primary Table 1 and actual Collie supporting PDF pages 7, 9 and 14; Carlino supporting PDF contents inspected, but the inherited main-article HTRF method remains not inspected after documented access attempts.",
      "verification_status": "primary_full_text_sections_verified",
      "remaining_uncertainty": "HTRF full conditions are referenced to Carlino et al. 2024 DOI 10.1021/acs.jmedchem.4c00215. Its main protocol remains inaccessible after official repository checks. The actual supplement was inspected but contains no HTRF protocol. Table 1 reports SEM; independence level of HTRF replicates is not specified.",
      "rule": "Phase5 source-curated evidence_class, material, target_scope, source role; no inferred affinities"
    },
    {
      "observation_id": "PWWP11:ASSAY:0008",
      "compound_id": "PREP:NbH10",
      "preparation_id": "PREP:NbH10",
      "chemical_id": null,
      "protein_id": "UP:O75475",
      "domain_id": "UP:O75475:PWWP1",
      "target_scope": "domain_specific",
      "target_variant": null,
      "molecular_entity_type": "nanobody",
      "source_role": "macromolecular_binder",
      "evidence_type": "direct_binding",
      "measured": true,
      "studied_compound": false,
      "positive_direct_binder": false,
      "reported_probe": false,
      "reported_control": false,
      "reported_cellular": false,
      "explicitly_negative": false,
      "value": 94.4,
      "operator": "=",
      "units": "nM",
      "endpoint": "Kd",
      "method": "SPR apparent",
      "source_id": "S06",
      "source_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC13204740/",
      "source_location": "Table 1 NbH10 column; SPR methods",
      "source_verification_scope": "local_primary_full_text_XML_table_and_methods_verified",
      "verification_status": "source_scope_unresolved",
      "remaining_uncertainty": null,
      "rule": "Phase5 source-curated evidence_class, material, target_scope, source role; no inferred affinities"
    },
    {
      "observation_id": "PWWP11:ASSAY:0009",
      "compound_id": "PREP:NbH10",
      "preparation_id": "PREP:NbH10",
      "chemical_id": null,
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "target_scope": "domain_specific",
      "target_variant": null,
      "molecular_entity_type": "nanobody",
      "source_role": "macromolecular_binder",
      "evidence_type": "direct_binding",
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      "studied_compound": false,
      "positive_direct_binder": false,
      "reported_probe": false,
      "reported_control": false,
      "reported_cellular": false,
      "explicitly_negative": false,
      "value": 81.2,
      "operator": "=",
      "units": "nM",
      "endpoint": "Kd",
      "method": "SPR apparent",
      "source_id": "S06",
      "source_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC13204740/",
      "source_location": "Table 1 NbH10 column; SPR methods",
      "source_verification_scope": "local_primary_full_text_XML_table_and_methods_verified",
      "verification_status": "source_scope_unresolved",
      "remaining_uncertainty": null,
      "rule": "Phase5 source-curated evidence_class, material, target_scope, source role; no inferred affinities"
    },
    {
      "observation_id": "PWWP:ASSAY:0010",
      "compound_id": "INCHIKEY:JQSHBVHOMNKWFT-DTORHVGOSA-N",
      "preparation_id": "PREP:VARENICLINE",
      "chemical_id": "INCHIKEY:JQSHBVHOMNKWFT-DTORHVGOSA-N",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "target_scope": "domain_specific",
      "target_variant": null,
      "molecular_entity_type": "small_molecule_preparation",
      "source_role": "experimentally_studied_fragment_ligand",
      "evidence_type": "direct_binding",
      "measured": true,
      "studied_compound": true,
      "positive_direct_binder": true,
      "reported_probe": false,
      "reported_control": false,
      "reported_cellular": false,
      "explicitly_negative": false,
      "value": 250.0,
      "operator": "=",
      "units": "µM",
      "endpoint": "Kd",
      "method": "NMR chemical-shift perturbation",
      "source_id": "S04",
      "source_url": "https://febs.onlinelibrary.wiley.com/doi/10.1002/1873-3468.14981",
      "source_location": "Results; Figure 1E",
      "source_verification_scope": "primary_publisher_selected_indexed_Results_and_Methods_passages; Figure S2 not independently retrieved",
      "verification_status": "primary_full_text_sections_verified",
      "remaining_uncertainty": "Full assay buffer, temperature and incubation metadata not transcribed; null means uncurated, not absent.",
      "rule": "Phase5 source-curated evidence_class, material, target_scope, source role; no inferred affinities"
    },
    {
      "observation_id": "PWWP:ASSAY:0011",
      "compound_id": "INCHIKEY:LKKNQJJSEMQTHQ-UHFFFAOYSA-N",
      "preparation_id": "PREP:BPP",
      "chemical_id": "INCHIKEY:LKKNQJJSEMQTHQ-UHFFFAOYSA-N",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "target_scope": "domain_specific",
      "target_variant": null,
      "molecular_entity_type": "small_molecule_preparation",
      "source_role": "experimentally_studied_fragment_ligand",
      "evidence_type": "direct_binding",
      "measured": true,
      "studied_compound": true,
      "positive_direct_binder": true,
      "reported_probe": false,
      "reported_control": false,
      "reported_cellular": false,
      "explicitly_negative": false,
      "value": 7.0,
      "operator": "=",
      "units": "µM",
      "endpoint": "Kd",
      "method": "NMR chemical-shift perturbation",
      "source_id": "S04",
      "source_url": "https://febs.onlinelibrary.wiley.com/doi/10.1002/1873-3468.14981",
      "source_location": "Results; Figure 1E",
      "source_verification_scope": "primary_publisher_selected_indexed_Results_and_Methods_passages; Figure S2 not independently retrieved",
      "verification_status": "primary_full_text_sections_verified",
      "remaining_uncertainty": "Intermediate-exchange NMR fit has large fitting error; ITC cross-validation reported, exact separate ITC number not extracted.",
      "rule": "Phase5 source-curated evidence_class, material, target_scope, source role; no inferred affinities"
    },
    {
      "observation_id": "PWWP:ASSAY:0032",
      "compound_id": "PREP:NbH10",
      "preparation_id": "PREP:NbH10",
      "chemical_id": null,
      "protein_id": "UP:O75475",
      "domain_id": null,
      "target_scope": "protein_level",
      "target_variant": "wild type as reported",
      "molecular_entity_type": "nanobody",
      "source_role": "experimentally_studied_macromolecular_binder",
      "evidence_type": "protein_level_biochemical",
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      "studied_compound": false,
      "positive_direct_binder": false,
      "reported_probe": false,
      "reported_control": false,
      "reported_cellular": false,
      "explicitly_negative": false,
      "value": 0.94,
      "operator": "=",
      "units": "µM",
      "endpoint": "IC50",
      "method": "AlphaScreen inhibition",
      "source_id": "S06",
      "source_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC13204740/",
      "source_location": "Section 3.6; Figure 3",
      "source_verification_scope": "local_primary_full_text_XML; Table 1, methods and Results inspected",
      "verification_status": "primary_full_text_sections_verified",
      "remaining_uncertainty": "Full assay buffer, temperature and incubation metadata not transcribed; null means uncurated, not absent.",
      "rule": "Phase5 source-curated evidence_class, material, target_scope, source role; no inferred affinities"
    },
    {
      "observation_id": "PWWP11:ASSAY:0010",
      "compound_id": "PREP:H4K20me3_11mer",
      "preparation_id": "PREP:H4K20me3_11mer",
      "chemical_id": null,
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "target_scope": "domain_specific",
      "target_variant": null,
      "molecular_entity_type": "modified_histone_peptide",
      "source_role": "histone_peptide_assay",
      "evidence_type": "qualitative_weak_binding",
      "measured": true,
      "studied_compound": false,
      "positive_direct_binder": false,
      "reported_probe": false,
      "reported_control": false,
      "reported_cellular": false,
      "explicitly_negative": false,
      "value": null,
      "operator": null,
      "units": null,
      "endpoint": "Qualitative / association",
      "method": "Fluorescence polarization binding",
      "source_id": "S07",
      "source_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC3119473/",
      "source_location": "Table 1 H4K20me3 / HDGF2 cell and footnote",
      "source_verification_scope": "local_primary_full_text_XML_table_verified",
      "verification_status": "source_scope_unresolved",
      "remaining_uncertainty": null,
      "rule": "Phase5 source-curated evidence_class, material, target_scope, source role; no inferred affinities"
    },
    {
      "observation_id": "PWWP:ASSAY:0001",
      "compound_id": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N",
      "preparation_id": "PREP:MR837",
      "chemical_id": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "target_scope": "domain_specific",
      "target_variant": null,
      "molecular_entity_type": "small_molecule_preparation",
      "source_role": "experimentally_studied_ligand",
      "evidence_type": "direct_binding",
      "measured": true,
      "studied_compound": true,
      "positive_direct_binder": true,
      "reported_probe": false,
      "reported_control": false,
      "reported_cellular": false,
      "explicitly_negative": false,
      "value": 7.0,
      "operator": "=",
      "units": "µM",
      "endpoint": "Kd",
      "method": "SPR",
      "source_id": "S01",
      "source_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC8130708/",
      "source_location": "Results; Figure 2",
      "source_verification_scope": "primary_article_selected_indexed_full_text_passages; original figures and supplement not independently opened",
      "verification_status": "primary_full_text_sections_verified",
      "remaining_uncertainty": "Full assay buffer, temperature and incubation metadata not transcribed; null means uncurated, not absent.",
      "rule": "Phase5 source-curated evidence_class, material, target_scope, source role; no inferred affinities"
    },
    {
      "observation_id": "PWWP:ASSAY:0003",
      "compound_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
      "preparation_id": "PREP:MRT866",
      "chemical_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "target_scope": "domain_specific",
      "target_variant": null,
      "molecular_entity_type": "small_molecule_preparation",
      "source_role": "experimentally_studied_ligand",
      "evidence_type": "direct_binding",
      "measured": true,
      "studied_compound": true,
      "positive_direct_binder": true,
      "reported_probe": false,
      "reported_control": false,
      "reported_cellular": false,
      "explicitly_negative": false,
      "value": 349.0,
      "operator": "=",
      "units": "nM",
      "endpoint": "Kd",
      "method": "SPR",
      "source_id": "S02",
      "source_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC9189931/",
      "source_location": "Results: Discovery of a potent ligand targeting NSD2-PWWP1",
      "source_verification_scope": "Phase 3 primary full-text Methods, Results and figure legends through official NCBI BioC; actual publisher supplement; assay-specific scope retained",
      "verification_status": "primary_full_text_sections_verified",
      "remaining_uncertainty": "349 ± 19 nM verified in Results; MRT866-specific SPR construct/protocol, replicate definition and uncertainty statistic remain unresolved. Crystallography 211–350 is not assigned as the binding-assay construct.",
      "rule": "Phase5 source-curated evidence_class, material, target_scope, source role; no inferred affinities"
    },
    {
      "observation_id": "PWWP:ASSAY:0006",
      "compound_id": "INCHIKEY:KOZGEDUWAQFVAV-UHFFFAOYSA-N",
      "preparation_id": "PREP:UNC6934",
      "chemical_id": "INCHIKEY:KOZGEDUWAQFVAV-UHFFFAOYSA-N",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "target_scope": "domain_specific",
      "target_variant": null,
      "molecular_entity_type": "small_molecule_preparation",
      "source_role": "reported_chemical_probe",
      "evidence_type": "cellular_activity",
      "measured": true,
      "studied_compound": true,
      "positive_direct_binder": false,
      "reported_probe": true,
      "reported_control": false,
      "reported_cellular": true,
      "explicitly_negative": false,
      "value": 1.23,
      "operator": "=",
      "units": "µM",
      "endpoint": "Unstandardized half-response concentration",
      "method": "NanoBRET PPI half-response",
      "source_id": "S02",
      "source_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC9189931/",
      "source_location": "Results: cellular target engagement; Figure 4d",
      "source_verification_scope": "Phase 3 primary full-text Methods, Results and figure legends through official NCBI BioC; actual publisher supplement; assay-specific scope retained",
      "verification_status": "primary_full_text_sections_verified",
      "remaining_uncertainty": "NanoLuc construct boundaries, readout temperature and SD-versus-SEM are not explicit in the inspected source. Results say EC50 while Discussion says IC50; neutral half-response label retained.",
      "rule": "Phase5 source-curated evidence_class, material, target_scope, source role; no inferred affinities"
    },
    {
      "observation_id": "PWWP:ASSAY:0009",
      "compound_id": "INCHIKEY:WOAOENGFAAUUGT-UHFFFAOYSA-N",
      "preparation_id": "PREP:BI-9321",
      "chemical_id": "INCHIKEY:WOAOENGFAAUUGT-UHFFFAOYSA-N",
      "protein_id": "UP:Q9BZ95",
      "domain_id": "UP:Q9BZ95:PWWP1",
      "target_scope": "domain_specific",
      "target_variant": null,
      "molecular_entity_type": "small_molecule_preparation",
      "source_role": "reported_chemical_probe",
      "evidence_type": "cellular_activity",
      "measured": true,
      "studied_compound": true,
      "positive_direct_binder": false,
      "reported_probe": true,
      "reported_control": false,
      "reported_cellular": true,
      "explicitly_negative": false,
      "value": 1.2,
      "operator": "=",
      "units": "µM",
      "endpoint": "IC50",
      "method": "NanoBRET",
      "source_id": "S03",
      "source_url": "https://www.thesgc.org/chemical-probes/bi-9321",
      "source_location": "SGC probe developer report: Overview",
      "source_verification_scope": "Phase 3 actual publisher Supplementary Table 7 and official Figure 3/4 captions; selected indexed accepted-manuscript Methods, full PDF unavailable (403); developer identity page",
      "verification_status": "primary_developer_assay_report_verified",
      "remaining_uncertainty": "The value 1.2 ± 0.06 uM, SD and n=3 were verified in the actual Supplementary Table 7. Full NanoBRET construct and conditions were not inspected. The 1.4 uM direct tracer-engagement endpoint is separate from this histone PPI assay.",
      "rule": "Phase5 source-curated evidence_class, material, target_scope, source role; no inferred affinities"
    },
    {
      "observation_id": "PWWP:ASSAY:0012",
      "compound_id": "INCHIKEY:LKKNQJJSEMQTHQ-UHFFFAOYSA-N",
      "preparation_id": "PREP:BPP",
      "chemical_id": "INCHIKEY:LKKNQJJSEMQTHQ-UHFFFAOYSA-N",
      "protein_id": "UP:O75475",
      "domain_id": "UP:O75475:PWWP1",
      "target_scope": "domain_specific",
      "target_variant": null,
      "molecular_entity_type": "small_molecule_preparation",
      "source_role": "experimentally_studied_fragment_ligand",
      "evidence_type": "direct_binding",
      "measured": true,
      "studied_compound": true,
      "positive_direct_binder": true,
      "reported_probe": false,
      "reported_control": false,
      "reported_cellular": false,
      "explicitly_negative": false,
      "value": 27.0,
      "operator": "=",
      "units": "µM",
      "endpoint": "Kd",
      "method": "ITC",
      "source_id": "S04",
      "source_url": "https://febs.onlinelibrary.wiley.com/doi/10.1002/1873-3468.14981",
      "source_location": "Results; Figure 4B",
      "source_verification_scope": "primary_publisher_selected_indexed_Results_and_Methods_passages; Figure S2 not independently retrieved",
      "verification_status": "primary_full_text_sections_verified",
      "remaining_uncertainty": "Full assay buffer, temperature and incubation metadata not transcribed; null means uncurated, not absent.",
      "rule": "Phase5 source-curated evidence_class, material, target_scope, source role; no inferred affinities"
    },
    {
      "observation_id": "PWWP:ASSAY:0013",
      "compound_id": "INCHIKEY:LKKNQJJSEMQTHQ-UHFFFAOYSA-N",
      "preparation_id": "PREP:BPP",
      "chemical_id": "INCHIKEY:LKKNQJJSEMQTHQ-UHFFFAOYSA-N",
      "protein_id": "UP:Q9Y3E1",
      "domain_id": "UP:Q9Y3E1:PWWP1",
      "target_scope": "domain_specific",
      "target_variant": null,
      "molecular_entity_type": "small_molecule_preparation",
      "source_role": "experimentally_studied_fragment_ligand",
      "evidence_type": "direct_binding",
      "measured": true,
      "studied_compound": true,
      "positive_direct_binder": true,
      "reported_probe": false,
      "reported_control": false,
      "reported_cellular": false,
      "explicitly_negative": false,
      "value": 14.0,
      "operator": "=",
      "units": "µM",
      "endpoint": "Kd",
      "method": "Binding",
      "source_id": "S04",
      "source_url": "https://febs.onlinelibrary.wiley.com/doi/10.1002/1873-3468.14981",
      "source_location": "Results: selectivity paragraph",
      "source_verification_scope": "primary_publisher_selected_indexed_Results_and_Methods_passages; Figure S2 not independently retrieved",
      "verification_status": "primary_full_text_sections_verified",
      "remaining_uncertainty": "14 ± 2 µM confirmed in primary Results; specific Figure S2 assay method remains unresolved.",
      "rule": "Phase5 source-curated evidence_class, material, target_scope, source role; no inferred affinities"
    },
    {
      "observation_id": "PWWP:ASSAY:0033",
      "compound_id": "INCHIKEY:OWMVSZAMULFTJU-UHFFFAOYSA-N",
      "preparation_id": "PREP:BIS-TRIS",
      "chemical_id": "INCHIKEY:OWMVSZAMULFTJU-UHFFFAOYSA-N",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "target_scope": "domain_specific",
      "target_variant": null,
      "molecular_entity_type": "buffer_additive",
      "source_role": "crystallization_buffer",
      "evidence_type": "structural_association_only",
      "measured": false,
      "studied_compound": false,
      "positive_direct_binder": false,
      "reported_probe": false,
      "reported_control": false,
      "reported_cellular": false,
      "explicitly_negative": false,
      "value": null,
      "operator": null,
      "units": null,
      "endpoint": "Qualitative / association",
      "method": "No pharmacological activity assigned",
      "source_id": "S07",
      "source_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC3119473/",
      "source_location": "Results: Trimethylated lysine histone recognition; crystallization methods",
      "source_verification_scope": "local_primary_full_text_XML; Tables 1-2, crystallization methods and ligand Results inspected",
      "verification_status": "primary_full_text_sections_verified",
      "remaining_uncertainty": "Pocket occupancy in high-concentration crystallization buffer is not evidence of potency.",
      "rule": "Phase5 source-curated evidence_class, material, target_scope, source role; no inferred affinities"
    },
    {
      "observation_id": "PWWP:ASSAY:0034",
      "compound_id": "INCHIKEY:OWMVSZAMULFTJU-UHFFFAOYSA-N",
      "preparation_id": "PREP:BIS-TRIS",
      "chemical_id": "INCHIKEY:OWMVSZAMULFTJU-UHFFFAOYSA-N",
      "protein_id": "UP:Q9UBC3",
      "domain_id": "UP:Q9UBC3:PWWP1",
      "target_scope": "domain_specific",
      "target_variant": null,
      "molecular_entity_type": "buffer_additive",
      "source_role": "crystallization_buffer",
      "evidence_type": "structural_association_only",
      "measured": false,
      "studied_compound": false,
      "positive_direct_binder": false,
      "reported_probe": false,
      "reported_control": false,
      "reported_cellular": false,
      "explicitly_negative": false,
      "value": null,
      "operator": null,
      "units": null,
      "endpoint": "Qualitative / association",
      "method": "No pharmacological activity assigned",
      "source_id": "S07",
      "source_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC3119473/",
      "source_location": "Results: Trimethylated lysine histone recognition; crystallization methods",
      "source_verification_scope": "local_primary_full_text_XML; Tables 1-2, crystallization methods and ligand Results inspected",
      "verification_status": "primary_full_text_sections_verified",
      "remaining_uncertainty": "Pocket occupancy in high-concentration crystallization buffer is not evidence of potency.",
      "rule": "Phase5 source-curated evidence_class, material, target_scope, source role; no inferred affinities"
    },
    {
      "observation_id": "PWWP:ASSAY:0036",
      "compound_id": "PREP:H4K20me3_11mer",
      "preparation_id": "PREP:H4K20me3_11mer",
      "chemical_id": null,
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "target_scope": "domain_specific",
      "target_variant": null,
      "molecular_entity_type": "modified_histone_peptide",
      "source_role": "histone methyllysine surrogate/partially resolved peptide",
      "evidence_type": "structural_association_only",
      "measured": false,
      "studied_compound": false,
      "positive_direct_binder": false,
      "reported_probe": false,
      "reported_control": false,
      "reported_cellular": false,
      "explicitly_negative": false,
      "value": null,
      "operator": null,
      "units": null,
      "endpoint": "Qualitative / association",
      "method": "X-ray structural association; no pharmacological activity assigned",
      "source_id": "S07",
      "source_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC3119473/",
      "source_location": "Table 2; RCSB polymer entity 2",
      "source_verification_scope": "local_primary_full_text_XML; Tables 1-2, crystallization methods and ligand Results inspected",
      "verification_status": "primary_full_text_sections_verified",
      "remaining_uncertainty": "M3L has a polymer residue identity. 3QBY structural occupancy coexists with very weak unfittable solution affinity in Table 1.",
      "rule": "Phase5 source-curated evidence_class, material, target_scope, source role; no inferred affinities"
    },
    {
      "observation_id": "PWWP5:ASSAY:0010",
      "compound_id": "INCHIKEY:MDIKJIFCQAJLPD-UHFFFAOYSA-N",
      "preparation_id": "PREP:UNC8153",
      "chemical_id": "INCHIKEY:MDIKJIFCQAJLPD-UHFFFAOYSA-N",
      "protein_id": "UP:O96028",
      "domain_id": null,
      "target_scope": "protein_level",
      "target_variant": null,
      "molecular_entity_type": "small_molecule_preparation",
      "source_role": "reported_degrader",
      "evidence_type": "protein_degradation",
      "measured": true,
      "studied_compound": true,
      "positive_direct_binder": false,
      "reported_probe": false,
      "reported_control": false,
      "reported_cellular": true,
      "explicitly_negative": false,
      "value": 0.35,
      "operator": "=",
      "units": "µM",
      "endpoint": "DC50",
      "method": "In-cell western degradation",
      "source_id": "P5:S:HANLEY2023",
      "source_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC10116495/",
      "source_location": "Results; Figure 3A; reused-data row Nie 2024 Table 1",
      "source_verification_scope": "NCBI BioC primary full text and captions; exact UNC8153 values additionally checked in reused original-data row of Nie 2024 Table 1",
      "verification_status": "primary_source_verified",
      "remaining_uncertainty": "Original numerical values and uncertainties are corroborated by the explicitly reused row of Nie 2024 Table 1. Original Figure 3 has multiple statistic/replicate annotations; its numeric panel was not independently opened, so the relevant annotation is left uncurated. No independent 2024 replicate is counted.",
      "rule": "Phase5 source-curated evidence_class, material, target_scope, source role; no inferred affinities"
    },
    {
      "observation_id": "PWWP5:ASSAY:0011",
      "compound_id": "INCHIKEY:MDIKJIFCQAJLPD-UHFFFAOYSA-N",
      "preparation_id": "PREP:UNC8153",
      "chemical_id": "INCHIKEY:MDIKJIFCQAJLPD-UHFFFAOYSA-N",
      "protein_id": "UP:O96028",
      "domain_id": null,
      "target_scope": "protein_level",
      "target_variant": null,
      "molecular_entity_type": "small_molecule_preparation",
      "source_role": "reported_degrader",
      "evidence_type": "protein_degradation",
      "measured": true,
      "studied_compound": true,
      "positive_direct_binder": false,
      "reported_probe": false,
      "reported_control": false,
      "reported_cellular": true,
      "explicitly_negative": false,
      "value": 79,
      "operator": "=",
      "units": "percent",
      "endpoint": "Dmax",
      "method": "In-cell western degradation",
      "source_id": "P5:S:HANLEY2023",
      "source_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC10116495/",
      "source_location": "Figure 3A; reused-data row Nie 2024 Table 1",
      "source_verification_scope": "NCBI BioC primary full text and captions; exact UNC8153 values additionally checked in reused original-data row of Nie 2024 Table 1",
      "verification_status": "primary_source_verified",
      "remaining_uncertainty": "Original numerical values and uncertainties are corroborated by the explicitly reused row of Nie 2024 Table 1. Original Figure 3 has multiple statistic/replicate annotations; its numeric panel was not independently opened, so the relevant annotation is left uncurated. No independent 2024 replicate is counted.",
      "rule": "Phase5 source-curated evidence_class, material, target_scope, source role; no inferred affinities"
    },
    {
      "observation_id": "PWWP5:ASSAY:0009",
      "compound_id": "INCHIKEY:MDIKJIFCQAJLPD-UHFFFAOYSA-N",
      "preparation_id": "PREP:UNC8153",
      "chemical_id": "INCHIKEY:MDIKJIFCQAJLPD-UHFFFAOYSA-N",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "target_scope": "domain_specific",
      "target_variant": null,
      "molecular_entity_type": "small_molecule_preparation",
      "source_role": "reported_degrader",
      "evidence_type": "direct_binding",
      "measured": true,
      "studied_compound": true,
      "positive_direct_binder": true,
      "reported_probe": false,
      "reported_control": false,
      "reported_cellular": false,
      "explicitly_negative": false,
      "value": 24,
      "operator": "=",
      "units": "nM",
      "endpoint": "Kd",
      "method": "SPR",
      "source_id": "P5:S:HANLEY2023",
      "source_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC10116495/",
      "source_location": "Figure 3A; numeric value visually verified in asterisk-marked original-data row of Nie 2024 Table 1",
      "source_verification_scope": "NCBI BioC primary full text and captions; exact UNC8153 values additionally checked in reused original-data row of Nie 2024 Table 1",
      "verification_status": "primary_source_verified",
      "remaining_uncertainty": "Original value and uncertainty preserved from later primary-table reprint; original Figure 3 numeric image not separately opened. Original experiment replicate/statistic assignment and construct remain uncurated; this is not a second 2024 experiment.",
      "rule": "Phase5 source-curated evidence_class, material, target_scope, source role; no inferred affinities"
    },
    {
      "observation_id": "PWWP5:ASSAY:0027",
      "compound_id": "INCHIKEY:JQSHBVHOMNKWFT-DTORHVGOSA-N",
      "preparation_id": "PREP:VARENICLINE",
      "chemical_id": "INCHIKEY:JQSHBVHOMNKWFT-DTORHVGOSA-N",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "target_scope": "domain_specific",
      "target_variant": "Y18S",
      "molecular_entity_type": "small_molecule_preparation",
      "source_role": "experimentally_studied_ligand",
      "evidence_type": "direct_binding",
      "measured": true,
      "studied_compound": true,
      "positive_direct_binder": true,
      "reported_probe": false,
      "reported_control": false,
      "reported_cellular": false,
      "explicitly_negative": false,
      "value": 0.78,
      "operator": "=",
      "units": "mM",
      "endpoint": "Kd",
      "method": "NMR chemical-shift perturbation",
      "source_id": "P5:S:WEI2024",
      "source_url": "https://febs.onlinelibrary.wiley.com/doi/full/10.1002/1873-3468.14981",
      "source_location": "Results; Figure 2E",
      "source_verification_scope": "Official publisher full HTML independently inspected: Methods, Results and Figures 1–4 captions; original Supplementary Figure S2 was not retrieved",
      "verification_status": "primary_source_verified",
      "remaining_uncertainty": "Y18S mutant measurement; must not be pooled with wild-type affinity. Construct is the source HDGFRP2 PWWP expression fragment (1–93) carrying the stated mutation. Replicate number and titration-specific temperature are not independently specified.",
      "rule": "Phase5 source-curated evidence_class, material, target_scope, source role; no inferred affinities"
    },
    {
      "observation_id": "PWWP5:ASSAY:0028",
      "compound_id": "INCHIKEY:LKKNQJJSEMQTHQ-UHFFFAOYSA-N",
      "preparation_id": "PREP:BPP",
      "chemical_id": "INCHIKEY:LKKNQJJSEMQTHQ-UHFFFAOYSA-N",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "target_scope": "domain_specific",
      "target_variant": "Y18S",
      "molecular_entity_type": "small_molecule_preparation",
      "source_role": "experimentally_studied_ligand",
      "evidence_type": "direct_binding",
      "measured": true,
      "studied_compound": true,
      "positive_direct_binder": true,
      "reported_probe": false,
      "reported_control": false,
      "reported_cellular": false,
      "explicitly_negative": false,
      "value": 0.29,
      "operator": "=",
      "units": "mM",
      "endpoint": "Kd",
      "method": "NMR chemical-shift perturbation",
      "source_id": "P5:S:WEI2024",
      "source_url": "https://febs.onlinelibrary.wiley.com/doi/full/10.1002/1873-3468.14981",
      "source_location": "Results; Figure 3D",
      "source_verification_scope": "Official publisher full HTML independently inspected: Methods, Results and Figures 1–4 captions; original Supplementary Figure S2 was not retrieved",
      "verification_status": "primary_source_verified",
      "remaining_uncertainty": "Y18S mutant measurement; must not be pooled with wild-type affinity. Construct is the source HDGFRP2 PWWP expression fragment (1–93) carrying the stated mutation. Replicate number and titration-specific temperature are not independently specified.",
      "rule": "Phase5 source-curated evidence_class, material, target_scope, source role; no inferred affinities"
    },
    {
      "observation_id": "PWWP5:ASSAY:0004",
      "compound_id": "INCHIKEY:RWXCSOWWDBANDF-LPFSXYLXSA-N",
      "preparation_id": "PREP:MS9715",
      "chemical_id": "INCHIKEY:RWXCSOWWDBANDF-LPFSXYLXSA-N",
      "protein_id": "UP:Q9BZ95",
      "domain_id": null,
      "target_scope": "protein_level",
      "target_variant": null,
      "molecular_entity_type": "small_molecule_preparation",
      "source_role": "reported_degrader",
      "evidence_type": "protein_degradation",
      "measured": true,
      "studied_compound": true,
      "positive_direct_binder": false,
      "reported_probe": false,
      "reported_control": false,
      "reported_cellular": true,
      "explicitly_negative": false,
      "value": 4.9,
      "operator": "=",
      "units": "µM",
      "endpoint": "DC50",
      "method": "Immunoblot degradation",
      "source_id": "P5:S:XU2022",
      "source_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC8882712/",
      "source_location": "Results; Figure 3E and S1E",
      "source_verification_scope": "NCBI BioC primary full text; Results, ITC Methods and Figure 2/3 captions inspected",
      "verification_status": "primary_source_verified",
      "remaining_uncertainty": "Assay details not explicitly populated remain uncurated; no transfer between assay systems or domains.",
      "rule": "Phase5 source-curated evidence_class, material, target_scope, source role; no inferred affinities"
    },
    {
      "observation_id": "PWWP5:ASSAY:0005",
      "compound_id": "INCHIKEY:RWXCSOWWDBANDF-LPFSXYLXSA-N",
      "preparation_id": "PREP:MS9715",
      "chemical_id": "INCHIKEY:RWXCSOWWDBANDF-LPFSXYLXSA-N",
      "protein_id": "UP:Q9BZ95",
      "domain_id": null,
      "target_scope": "protein_level",
      "target_variant": null,
      "molecular_entity_type": "small_molecule_preparation",
      "source_role": "reported_degrader",
      "evidence_type": "protein_degradation",
      "measured": true,
      "studied_compound": true,
      "positive_direct_binder": false,
      "reported_probe": false,
      "reported_control": false,
      "reported_cellular": true,
      "explicitly_negative": false,
      "value": 80,
      "operator": ">",
      "units": "percent",
      "endpoint": "Dmax",
      "method": "Immunoblot degradation",
      "source_id": "P5:S:XU2022",
      "source_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC8882712/",
      "source_location": "Results: MS9715 effectively degrades NSD3",
      "source_verification_scope": "NCBI BioC primary full text; Results, ITC Methods and Figure 2/3 captions inspected",
      "verification_status": "primary_source_verified",
      "remaining_uncertainty": "Main text reports greater than 80%; inequality preserved, no exact Dmax assigned.",
      "rule": "Phase5 source-curated evidence_class, material, target_scope, source role; no inferred affinities"
    },
    {
      "observation_id": "PWWP5:ASSAY:0006",
      "compound_id": "PREP:MS9715N",
      "preparation_id": "PREP:MS9715N",
      "chemical_id": null,
      "protein_id": "UP:Q9BZ95",
      "domain_id": null,
      "target_scope": "protein_level",
      "target_variant": null,
      "molecular_entity_type": "small_molecule_preparation",
      "source_role": "negative_control",
      "evidence_type": "qualitative_control",
      "measured": true,
      "studied_compound": true,
      "positive_direct_binder": false,
      "reported_probe": false,
      "reported_control": true,
      "reported_cellular": false,
      "explicitly_negative": false,
      "value": null,
      "operator": null,
      "units": null,
      "endpoint": "qualitative",
      "method": "Immunoblot degradation control",
      "source_id": "P5:S:XU2022",
      "source_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC8882712/",
      "source_location": "Results; Figure 3A-B; Figure S1C-D",
      "source_verification_scope": "NCBI BioC primary full text; Results, ITC Methods and Figure 2/3 captions inspected",
      "verification_status": "primary_source_verified",
      "remaining_uncertainty": "Assay details not explicitly populated remain uncurated; no transfer between assay systems or domains.",
      "rule": "Phase5 source-curated evidence_class, material, target_scope, source role; no inferred affinities"
    },
    {
      "observation_id": "PWWP5:ASSAY:0012",
      "compound_id": "PREP:UNC7753",
      "preparation_id": "PREP:UNC7753",
      "chemical_id": null,
      "protein_id": "UP:O96028",
      "domain_id": null,
      "target_scope": "protein_level",
      "target_variant": null,
      "molecular_entity_type": "small_molecule_preparation",
      "source_role": "reported_degrader",
      "evidence_type": "protein_degradation",
      "measured": true,
      "studied_compound": true,
      "positive_direct_binder": false,
      "reported_probe": false,
      "reported_control": false,
      "reported_cellular": true,
      "explicitly_negative": false,
      "value": 1.2,
      "operator": "=",
      "units": "µM",
      "endpoint": "DC50",
      "method": "In-cell western degradation",
      "source_id": "P5:S:HANLEY2023",
      "source_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC10116495/",
      "source_location": "Results; Figure 2A-D",
      "source_verification_scope": "NCBI BioC primary full text and captions; exact UNC8153 values additionally checked in reused original-data row of Nie 2024 Table 1",
      "verification_status": "primary_source_verified",
      "remaining_uncertainty": "Assay details not explicitly populated remain uncurated; no transfer between assay systems or domains.",
      "rule": "Phase5 source-curated evidence_class, material, target_scope, source role; no inferred affinities"
    },
    {
      "observation_id": "PWWP5:ASSAY:0013",
      "compound_id": "PREP:UNC7753",
      "preparation_id": "PREP:UNC7753",
      "chemical_id": null,
      "protein_id": "UP:O96028",
      "domain_id": null,
      "target_scope": "protein_level",
      "target_variant": null,
      "molecular_entity_type": "small_molecule_preparation",
      "source_role": "reported_degrader",
      "evidence_type": "protein_degradation",
      "measured": true,
      "studied_compound": true,
      "positive_direct_binder": false,
      "reported_probe": false,
      "reported_control": false,
      "reported_cellular": true,
      "explicitly_negative": false,
      "value": 81,
      "operator": "=",
      "units": "percent",
      "endpoint": "Dmax",
      "method": "In-cell western degradation",
      "source_id": "P5:S:HANLEY2023",
      "source_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC10116495/",
      "source_location": "Results; Figure 2A-D",
      "source_verification_scope": "NCBI BioC primary full text and captions; exact UNC8153 values additionally checked in reused original-data row of Nie 2024 Table 1",
      "verification_status": "primary_source_verified",
      "remaining_uncertainty": "Main-text 81% transcribed; original numeric figure uncertainty not separately verified, so no uncertainty filled.",
      "rule": "Phase5 source-curated evidence_class, material, target_scope, source role; no inferred affinities"
    },
    {
      "observation_id": "PWWP5:ASSAY:0014",
      "compound_id": "PREP:UNC8587",
      "preparation_id": "PREP:UNC8587",
      "chemical_id": null,
      "protein_id": "UP:O96028",
      "domain_id": null,
      "target_scope": "protein_level",
      "target_variant": null,
      "molecular_entity_type": "small_molecule_preparation",
      "source_role": "negative_control",
      "evidence_type": "qualitative_control",
      "measured": true,
      "studied_compound": true,
      "positive_direct_binder": false,
      "reported_probe": false,
      "reported_control": true,
      "reported_cellular": false,
      "explicitly_negative": false,
      "value": null,
      "operator": null,
      "units": null,
      "endpoint": "qualitative",
      "method": "Immunoblot cellular control",
      "source_id": "P5:S:HANLEY2023",
      "source_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC10116495/",
      "source_location": "Results: UNC8153 degradation leads to loss of H3K36me2; Figure 5B",
      "source_verification_scope": "NCBI BioC primary full text and captions; exact UNC8153 values additionally checked in reused original-data row of Nie 2024 Table 1",
      "verification_status": "primary_source_verified",
      "remaining_uncertainty": "This is a histone-mark cellular observation; it is not an exact NSD2-PWWP1 binding measurement.",
      "rule": "Phase5 source-curated evidence_class, material, target_scope, source role; no inferred affinities"
    },
    {
      "observation_id": "PWWP5:ASSAY:0016",
      "compound_id": "PREP:UNC8269",
      "preparation_id": "PREP:UNC8269",
      "chemical_id": null,
      "protein_id": "UP:O96028",
      "domain_id": null,
      "target_scope": "protein_level",
      "target_variant": null,
      "molecular_entity_type": "small_molecule_preparation",
      "source_role": "reported_degrader",
      "evidence_type": "protein_degradation",
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      "studied_compound": true,
      "positive_direct_binder": false,
      "reported_probe": false,
      "reported_control": false,
      "reported_cellular": true,
      "explicitly_negative": false,
      "value": 59,
      "operator": "=",
      "units": "percent",
      "endpoint": "Dmax",
      "method": "In-cell western degradation",
      "source_id": "P5:S:NIE2024",
      "source_url": "https://www.nature.com/articles/s41589-024-01660-y",
      "source_location": "Table 1; Supplementary Figure 2",
      "source_verification_scope": "Official publisher Table 1 image visually inspected; table footnote and Supplementary Figures 1-2 inspected; identities compared to primary structures",
      "verification_status": "primary_source_verified",
      "remaining_uncertainty": "Cell line confirmed in Supplementary Figure 2; exact duration not filled from a different experiment.",
      "rule": "Phase5 source-curated evidence_class, material, target_scope, source role; no inferred affinities"
    },
    {
      "observation_id": "PWWP5:ASSAY:0017",
      "compound_id": "PREP:UNC8269",
      "preparation_id": "PREP:UNC8269",
      "chemical_id": null,
      "protein_id": "UP:O96028",
      "domain_id": null,
      "target_scope": "protein_level",
      "target_variant": null,
      "molecular_entity_type": "small_molecule_preparation",
      "source_role": "reported_degrader",
      "evidence_type": "protein_degradation",
      "measured": true,
      "studied_compound": true,
      "positive_direct_binder": false,
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      "reported_control": false,
      "reported_cellular": true,
      "explicitly_negative": false,
      "value": 1.01,
      "operator": "=",
      "units": "µM",
      "endpoint": "DC50",
      "method": "In-cell western degradation",
      "source_id": "P5:S:NIE2024",
      "source_url": "https://www.nature.com/articles/s41589-024-01660-y",
      "source_location": "Table 1; Supplementary Figure 2",
      "source_verification_scope": "Official publisher Table 1 image visually inspected; table footnote and Supplementary Figures 1-2 inspected; identities compared to primary structures",
      "verification_status": "primary_source_verified",
      "remaining_uncertainty": "Cell line confirmed in Supplementary Figure 2; exact duration not filled from a different experiment.",
      "rule": "Phase5 source-curated evidence_class, material, target_scope, source role; no inferred affinities"
    },
    {
      "observation_id": "PWWP5:ASSAY:0019",
      "compound_id": "PREP:UNC8325",
      "preparation_id": "PREP:UNC8325",
      "chemical_id": null,
      "protein_id": "UP:O96028",
      "domain_id": null,
      "target_scope": "protein_level",
      "target_variant": null,
      "molecular_entity_type": "small_molecule_preparation",
      "source_role": "reported_degrader",
      "evidence_type": "protein_degradation",
      "measured": true,
      "studied_compound": true,
      "positive_direct_binder": false,
      "reported_probe": false,
      "reported_control": false,
      "reported_cellular": true,
      "explicitly_negative": false,
      "value": 71,
      "operator": "=",
      "units": "percent",
      "endpoint": "Dmax",
      "method": "In-cell western degradation",
      "source_id": "P5:S:NIE2024",
      "source_url": "https://www.nature.com/articles/s41589-024-01660-y",
      "source_location": "Table 1; Supplementary Figure 2",
      "source_verification_scope": "Official publisher Table 1 image visually inspected; table footnote and Supplementary Figures 1-2 inspected; identities compared to primary structures",
      "verification_status": "primary_source_verified",
      "remaining_uncertainty": "Cell line confirmed in Supplementary Figure 2; exact duration not filled from a different experiment.",
      "rule": "Phase5 source-curated evidence_class, material, target_scope, source role; no inferred affinities"
    },
    {
      "observation_id": "PWWP5:ASSAY:0020",
      "compound_id": "PREP:UNC8325",
      "preparation_id": "PREP:UNC8325",
      "chemical_id": null,
      "protein_id": "UP:O96028",
      "domain_id": null,
      "target_scope": "protein_level",
      "target_variant": null,
      "molecular_entity_type": "small_molecule_preparation",
      "source_role": "reported_degrader",
      "evidence_type": "protein_degradation",
      "measured": true,
      "studied_compound": true,
      "positive_direct_binder": false,
      "reported_probe": false,
      "reported_control": false,
      "reported_cellular": true,
      "explicitly_negative": false,
      "value": 0.71,
      "operator": "=",
      "units": "µM",
      "endpoint": "DC50",
      "method": "In-cell western degradation",
      "source_id": "P5:S:NIE2024",
      "source_url": "https://www.nature.com/articles/s41589-024-01660-y",
      "source_location": "Table 1; Supplementary Figure 2",
      "source_verification_scope": "Official publisher Table 1 image visually inspected; table footnote and Supplementary Figures 1-2 inspected; identities compared to primary structures",
      "verification_status": "primary_source_verified",
      "remaining_uncertainty": "Cell line confirmed in Supplementary Figure 2; exact duration not filled from a different experiment.",
      "rule": "Phase5 source-curated evidence_class, material, target_scope, source role; no inferred affinities"
    },
    {
      "observation_id": "PWWP5:ASSAY:0022",
      "compound_id": "INCHIKEY:CSTHTJLTORVUST-UHFFFAOYSA-N",
      "preparation_id": "PREP:UNC8732",
      "chemical_id": "INCHIKEY:CSTHTJLTORVUST-UHFFFAOYSA-N",
      "protein_id": "UP:O96028",
      "domain_id": null,
      "target_scope": "protein_level",
      "target_variant": null,
      "molecular_entity_type": "small_molecule_preparation",
      "source_role": "reported_degrader",
      "evidence_type": "protein_degradation",
      "measured": true,
      "studied_compound": true,
      "positive_direct_binder": false,
      "reported_probe": false,
      "reported_control": false,
      "reported_cellular": true,
      "explicitly_negative": false,
      "value": 97,
      "operator": "=",
      "units": "percent",
      "endpoint": "Dmax",
      "method": "In-cell western degradation",
      "source_id": "P5:S:NIE2024",
      "source_url": "https://www.nature.com/articles/s41589-024-01660-y",
      "source_location": "Table 1; Supplementary Figure 2",
      "source_verification_scope": "Official publisher Table 1 image visually inspected; table footnote and Supplementary Figures 1-2 inspected; identities compared to primary structures",
      "verification_status": "primary_source_verified",
      "remaining_uncertainty": "Cell line confirmed in Supplementary Figure 2; exact duration not filled from a different experiment.",
      "rule": "Phase5 source-curated evidence_class, material, target_scope, source role; no inferred affinities"
    },
    {
      "observation_id": "PWWP5:ASSAY:0023",
      "compound_id": "INCHIKEY:CSTHTJLTORVUST-UHFFFAOYSA-N",
      "preparation_id": "PREP:UNC8732",
      "chemical_id": "INCHIKEY:CSTHTJLTORVUST-UHFFFAOYSA-N",
      "protein_id": "UP:O96028",
      "domain_id": null,
      "target_scope": "protein_level",
      "target_variant": null,
      "molecular_entity_type": "small_molecule_preparation",
      "source_role": "reported_degrader",
      "evidence_type": "protein_degradation",
      "measured": true,
      "studied_compound": true,
      "positive_direct_binder": false,
      "reported_probe": false,
      "reported_control": false,
      "reported_cellular": true,
      "explicitly_negative": false,
      "value": 0.06,
      "operator": "=",
      "units": "µM",
      "endpoint": "DC50",
      "method": "In-cell western degradation",
      "source_id": "P5:S:NIE2024",
      "source_url": "https://www.nature.com/articles/s41589-024-01660-y",
      "source_location": "Table 1; Supplementary Figure 2",
      "source_verification_scope": "Official publisher Table 1 image visually inspected; table footnote and Supplementary Figures 1-2 inspected; identities compared to primary structures",
      "verification_status": "primary_source_verified",
      "remaining_uncertainty": "Cell line confirmed in Supplementary Figure 2; exact duration not filled from a different experiment.",
      "rule": "Phase5 source-curated evidence_class, material, target_scope, source role; no inferred affinities"
    },
    {
      "observation_id": "PWWP5:ASSAY:0025",
      "compound_id": "INCHIKEY:OHRABUZLZFHHEJ-UHFFFAOYSA-N",
      "preparation_id": "PREP:LLC0424",
      "chemical_id": "INCHIKEY:OHRABUZLZFHHEJ-UHFFFAOYSA-N",
      "protein_id": "UP:O96028",
      "domain_id": null,
      "target_scope": "protein_level",
      "target_variant": null,
      "molecular_entity_type": "small_molecule_preparation",
      "source_role": "reported_degrader",
      "evidence_type": "protein_degradation",
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      "studied_compound": true,
      "positive_direct_binder": false,
      "reported_probe": false,
      "reported_control": false,
      "reported_cellular": true,
      "explicitly_negative": false,
      "value": 20,
      "operator": "=",
      "units": "nM",
      "endpoint": "DC50",
      "method": "Immunoblot degradation",
      "source_id": "P5:S:LIU2024",
      "source_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC11094793/",
      "source_location": "Abstract and Results",
      "source_verification_scope": "NCBI BioC full text; abstract, Results, chemical synthesis names and figure captions inspected",
      "verification_status": "primary_source_verified",
      "remaining_uncertainty": "Cellular whole-protein measurement. PWWP1-directed design is supported by the source, but no direct affinity is inferred and this result is not assigned to a PWWP domain.",
      "rule": "Phase5 source-curated evidence_class, material, target_scope, source role; no inferred affinities"
    },
    {
      "observation_id": "PWWP5:ASSAY:0026",
      "compound_id": "INCHIKEY:OHRABUZLZFHHEJ-UHFFFAOYSA-N",
      "preparation_id": "PREP:LLC0424",
      "chemical_id": "INCHIKEY:OHRABUZLZFHHEJ-UHFFFAOYSA-N",
      "protein_id": "UP:O96028",
      "domain_id": null,
      "target_scope": "protein_level",
      "target_variant": null,
      "molecular_entity_type": "small_molecule_preparation",
      "source_role": "reported_degrader",
      "evidence_type": "protein_degradation",
      "measured": true,
      "studied_compound": true,
      "positive_direct_binder": false,
      "reported_probe": false,
      "reported_control": false,
      "reported_cellular": true,
      "explicitly_negative": false,
      "value": 96,
      "operator": "=",
      "units": "percent",
      "endpoint": "Dmax",
      "method": "Immunoblot degradation",
      "source_id": "P5:S:LIU2024",
      "source_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC11094793/",
      "source_location": "Abstract and Results",
      "source_verification_scope": "NCBI BioC full text; abstract, Results, chemical synthesis names and figure captions inspected",
      "verification_status": "primary_source_verified",
      "remaining_uncertainty": "Cellular whole-protein measurement. No PWWP-domain affinity inferred; replicate/uncertainty/duration not populated without assay-specific verification.",
      "rule": "Phase5 source-curated evidence_class, material, target_scope, source role; no inferred affinities"
    },
    {
      "observation_id": "PWWP5:ASSAY:0032",
      "compound_id": "INCHIKEY:LKKNQJJSEMQTHQ-UHFFFAOYSA-N",
      "preparation_id": "PREP:BPP",
      "chemical_id": "INCHIKEY:LKKNQJJSEMQTHQ-UHFFFAOYSA-N",
      "protein_id": "UP:O96028",
      "domain_id": null,
      "target_scope": "domain_unresolved",
      "target_variant": null,
      "molecular_entity_type": "small_molecule_preparation",
      "source_role": "experimentally_studied_ligand",
      "evidence_type": "qualitative_binding",
      "measured": true,
      "studied_compound": true,
      "positive_direct_binder": false,
      "reported_probe": false,
      "reported_control": false,
      "reported_cellular": false,
      "explicitly_negative": true,
      "value": null,
      "operator": null,
      "units": null,
      "endpoint": "qualitative",
      "method": "Binding selectivity; assay method not verified in Figure S2",
      "source_id": "P5:S:WEI2024",
      "source_url": "https://febs.onlinelibrary.wiley.com/doi/full/10.1002/1873-3468.14981",
      "source_location": "Results: selectivity paragraph referring to Figure S2",
      "source_verification_scope": "Official publisher full HTML independently inspected: Methods, Results and Figures 1–4 captions; original Supplementary Figure S2 was not retrieved",
      "verification_status": "primary_source_verified",
      "remaining_uncertainty": "No concentration limit, numeric Kd, assay method or construct boundaries assigned without original Supplementary Figure S2. Source says NSD2 PWWP but does not specify PWWP1 versus PWWP2 in the inspected passage; domain_id remains null.",
      "rule": "Phase5 source-curated evidence_class, material, target_scope, source role; no inferred affinities"
    },
    {
      "observation_id": "PWWP5:ASSAY:0007",
      "compound_id": "INCHIKEY:JXTDBIVBSAFNBJ-PLCURSASSA-N",
      "preparation_id": "PREP:UNC7096",
      "chemical_id": "INCHIKEY:JXTDBIVBSAFNBJ-PLCURSASSA-N",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "target_scope": "domain_specific",
      "target_variant": null,
      "molecular_entity_type": "small_molecule_preparation",
      "source_role": "affinity_reagent",
      "evidence_type": "direct_binding",
      "measured": true,
      "studied_compound": true,
      "positive_direct_binder": true,
      "reported_probe": false,
      "reported_control": false,
      "reported_cellular": false,
      "explicitly_negative": false,
      "value": 46,
      "operator": "=",
      "units": "nM",
      "endpoint": "Kd",
      "method": "SPR",
      "source_id": "P5:S:DILWORTH2021",
      "source_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC9189931/",
      "source_location": "Results: Development of selective affinity reagents; Extended Data Figure 6",
      "source_verification_scope": "NCBI BioC primary full text; UNC7096 Results and UNC7145 chemical transformation; primary Methods/captions inspected",
      "verification_status": "primary_source_verified",
      "remaining_uncertainty": "UNC7096-specific construct, buffer, uncertainty and replicate definition were not independently verified; the general UNC6934/UNC7145 SPR protocol is not automatically transferred.",
      "rule": "Phase5 source-curated evidence_class, material, target_scope, source role; no inferred affinities"
    },
    {
      "observation_id": "PWWP5:ASSAY:0008",
      "compound_id": "INCHIKEY:SFZHMKDAVPIXRB-UHFFFAOYSA-N",
      "preparation_id": "PREP:BI-9466",
      "chemical_id": "INCHIKEY:SFZHMKDAVPIXRB-UHFFFAOYSA-N",
      "protein_id": "UP:Q9BZ95",
      "domain_id": "UP:Q9BZ95:PWWP1",
      "target_scope": "domain_specific",
      "target_variant": null,
      "molecular_entity_type": "small_molecule_preparation",
      "source_role": "negative_control",
      "evidence_type": "qualitative_control",
      "measured": true,
      "studied_compound": true,
      "positive_direct_binder": false,
      "reported_probe": false,
      "reported_control": true,
      "reported_cellular": false,
      "explicitly_negative": false,
      "value": null,
      "operator": null,
      "units": null,
      "endpoint": "qualitative",
      "method": "Official SGC control activity summary",
      "source_id": "P5:S:SGC_BI9321",
      "source_url": "https://www.thesgc.org/chemical-probes/bi-9321",
      "source_location": "Overview",
      "source_verification_scope": "Official SGC probe page; explicit BI-9466 SMILES, InChI and InChIKey corroborated against PubChem",
      "verification_status": "official_probe_resource_verified",
      "remaining_uncertainty": "Endpoint-specific absolute numeric value and test construct not transcribed; no numerical affinity derived from the fold statement.",
      "rule": "Phase5 source-curated evidence_class, material, target_scope, source role; no inferred affinities"
    },
    {
      "observation_id": "PWWP5:ASSAY:0015",
      "compound_id": "PREP:UNC8269",
      "preparation_id": "PREP:UNC8269",
      "chemical_id": null,
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "target_scope": "domain_specific",
      "target_variant": null,
      "molecular_entity_type": "small_molecule_preparation",
      "source_role": "reported_degrader",
      "evidence_type": "direct_binding",
      "measured": true,
      "studied_compound": true,
      "positive_direct_binder": true,
      "reported_probe": false,
      "reported_control": false,
      "reported_cellular": false,
      "explicitly_negative": false,
      "value": 36,
      "operator": "=",
      "units": "nM",
      "endpoint": "Kd",
      "method": "SPR",
      "source_id": "P5:S:NIE2024",
      "source_url": "https://www.nature.com/articles/s41589-024-01660-y",
      "source_location": "Table 1; Supplementary Figure 1",
      "source_verification_scope": "Official publisher Table 1 image visually inspected; table footnote and Supplementary Figures 1-2 inspected; identities compared to primary structures",
      "verification_status": "primary_source_verified",
      "remaining_uncertainty": "Exact domain is stated; assay construct boundaries and full buffer were not independently recovered. Original table image and supporting SPR panel inspected.",
      "rule": "Phase5 source-curated evidence_class, material, target_scope, source role; no inferred affinities"
    },
    {
      "observation_id": "PWWP5:ASSAY:0018",
      "compound_id": "PREP:UNC8325",
      "preparation_id": "PREP:UNC8325",
      "chemical_id": null,
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "target_scope": "domain_specific",
      "target_variant": null,
      "molecular_entity_type": "small_molecule_preparation",
      "source_role": "reported_degrader",
      "evidence_type": "direct_binding",
      "measured": true,
      "studied_compound": true,
      "positive_direct_binder": true,
      "reported_probe": false,
      "reported_control": false,
      "reported_cellular": false,
      "explicitly_negative": false,
      "value": 41,
      "operator": "=",
      "units": "nM",
      "endpoint": "Kd",
      "method": "SPR",
      "source_id": "P5:S:NIE2024",
      "source_url": "https://www.nature.com/articles/s41589-024-01660-y",
      "source_location": "Table 1; Supplementary Figure 1",
      "source_verification_scope": "Official publisher Table 1 image visually inspected; table footnote and Supplementary Figures 1-2 inspected; identities compared to primary structures",
      "verification_status": "primary_source_verified",
      "remaining_uncertainty": "Exact domain is stated; assay construct boundaries and full buffer were not independently recovered. Original table image and supporting SPR panel inspected.",
      "rule": "Phase5 source-curated evidence_class, material, target_scope, source role; no inferred affinities"
    },
    {
      "observation_id": "PWWP5:ASSAY:0021",
      "compound_id": "INCHIKEY:CSTHTJLTORVUST-UHFFFAOYSA-N",
      "preparation_id": "PREP:UNC8732",
      "chemical_id": "INCHIKEY:CSTHTJLTORVUST-UHFFFAOYSA-N",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "target_scope": "domain_specific",
      "target_variant": null,
      "molecular_entity_type": "small_molecule_preparation",
      "source_role": "reported_degrader",
      "evidence_type": "direct_binding",
      "measured": true,
      "studied_compound": true,
      "positive_direct_binder": true,
      "reported_probe": false,
      "reported_control": false,
      "reported_cellular": false,
      "explicitly_negative": false,
      "value": 76,
      "operator": "=",
      "units": "nM",
      "endpoint": "Kd",
      "method": "SPR",
      "source_id": "P5:S:NIE2024",
      "source_url": "https://www.nature.com/articles/s41589-024-01660-y",
      "source_location": "Table 1; Supplementary Figure 1",
      "source_verification_scope": "Official publisher Table 1 image visually inspected; table footnote and Supplementary Figures 1-2 inspected; identities compared to primary structures",
      "verification_status": "primary_source_verified",
      "remaining_uncertainty": "Exact domain is stated; assay construct boundaries and full buffer were not independently recovered. Original table image and supporting SPR panel inspected.",
      "rule": "Phase5 source-curated evidence_class, material, target_scope, source role; no inferred affinities"
    },
    {
      "observation_id": "PWWP5:ASSAY:0024",
      "compound_id": "PREP:UNC8884",
      "preparation_id": "PREP:UNC8884",
      "chemical_id": null,
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "target_scope": "domain_specific",
      "target_variant": null,
      "molecular_entity_type": "small_molecule_preparation",
      "source_role": "negative_control",
      "evidence_type": "qualitative_control",
      "measured": true,
      "studied_compound": true,
      "positive_direct_binder": false,
      "reported_probe": false,
      "reported_control": true,
      "reported_cellular": false,
      "explicitly_negative": true,
      "value": null,
      "operator": null,
      "units": null,
      "endpoint": "qualitative",
      "method": "SPR qualitative no binding",
      "source_id": "P5:S:NIE2024",
      "source_url": "https://www.nature.com/articles/s41589-024-01660-y",
      "source_location": "Table 1; Supplementary Figure 1",
      "source_verification_scope": "Official publisher Table 1 image visually inspected; table footnote and Supplementary Figures 1-2 inspected; identities compared to primary structures",
      "verification_status": "primary_source_verified",
      "remaining_uncertainty": "Table reports NB for binding and ND for degradation endpoints; ND means not determined and is not converted to zero or inactivity.",
      "rule": "Phase5 source-curated evidence_class, material, target_scope, source role; no inferred affinities"
    },
    {
      "observation_id": "PWWP5:ASSAY:0029",
      "compound_id": "INCHIKEY:LKKNQJJSEMQTHQ-UHFFFAOYSA-N",
      "preparation_id": "PREP:BPP",
      "chemical_id": "INCHIKEY:LKKNQJJSEMQTHQ-UHFFFAOYSA-N",
      "protein_id": "UP:Q49A26",
      "domain_id": "UP:Q49A26:PWWP1",
      "target_scope": "domain_specific",
      "target_variant": null,
      "molecular_entity_type": "small_molecule_preparation",
      "source_role": "experimentally_studied_ligand",
      "evidence_type": "qualitative_binding",
      "measured": true,
      "studied_compound": true,
      "positive_direct_binder": false,
      "reported_probe": false,
      "reported_control": false,
      "reported_cellular": false,
      "explicitly_negative": true,
      "value": null,
      "operator": null,
      "units": null,
      "endpoint": "qualitative",
      "method": "Binding selectivity; assay method not verified in Figure S2",
      "source_id": "P5:S:WEI2024",
      "source_url": "https://febs.onlinelibrary.wiley.com/doi/full/10.1002/1873-3468.14981",
      "source_location": "Results: selectivity paragraph referring to Figure S2",
      "source_verification_scope": "Official publisher full HTML independently inspected: Methods, Results and Figures 1–4 captions; original Supplementary Figure S2 was not retrieved",
      "verification_status": "primary_source_verified",
      "remaining_uncertainty": "No concentration limit, numeric Kd, assay method or construct boundaries assigned without original Supplementary Figure S2. Protein has the named PWWP domain; this qualitative observation is not an unbounded inactivity claim.",
      "rule": "Phase5 source-curated evidence_class, material, target_scope, source role; no inferred affinities"
    },
    {
      "observation_id": "PWWP5:ASSAY:0030",
      "compound_id": "INCHIKEY:LKKNQJJSEMQTHQ-UHFFFAOYSA-N",
      "preparation_id": "PREP:BPP",
      "chemical_id": "INCHIKEY:LKKNQJJSEMQTHQ-UHFFFAOYSA-N",
      "protein_id": "UP:P55201",
      "domain_id": "UP:P55201:PWWP1",
      "target_scope": "domain_specific",
      "target_variant": null,
      "molecular_entity_type": "small_molecule_preparation",
      "source_role": "experimentally_studied_ligand",
      "evidence_type": "qualitative_binding",
      "measured": true,
      "studied_compound": true,
      "positive_direct_binder": false,
      "reported_probe": false,
      "reported_control": false,
      "reported_cellular": false,
      "explicitly_negative": true,
      "value": null,
      "operator": null,
      "units": null,
      "endpoint": "qualitative",
      "method": "Binding selectivity; assay method not verified in Figure S2",
      "source_id": "P5:S:WEI2024",
      "source_url": "https://febs.onlinelibrary.wiley.com/doi/full/10.1002/1873-3468.14981",
      "source_location": "Results: selectivity paragraph referring to Figure S2",
      "source_verification_scope": "Official publisher full HTML independently inspected: Methods, Results and Figures 1–4 captions; original Supplementary Figure S2 was not retrieved",
      "verification_status": "primary_source_verified",
      "remaining_uncertainty": "No concentration limit, numeric Kd, assay method or construct boundaries assigned without original Supplementary Figure S2. Protein has the named PWWP domain; this qualitative observation is not an unbounded inactivity claim.",
      "rule": "Phase5 source-curated evidence_class, material, target_scope, source role; no inferred affinities"
    },
    {
      "observation_id": "PWWP5:ASSAY:0031",
      "compound_id": "INCHIKEY:LKKNQJJSEMQTHQ-UHFFFAOYSA-N",
      "preparation_id": "PREP:BPP",
      "chemical_id": "INCHIKEY:LKKNQJJSEMQTHQ-UHFFFAOYSA-N",
      "protein_id": "UP:Q9UBC3",
      "domain_id": "UP:Q9UBC3:PWWP1",
      "target_scope": "domain_specific",
      "target_variant": null,
      "molecular_entity_type": "small_molecule_preparation",
      "source_role": "experimentally_studied_ligand",
      "evidence_type": "qualitative_binding",
      "measured": true,
      "studied_compound": true,
      "positive_direct_binder": false,
      "reported_probe": false,
      "reported_control": false,
      "reported_cellular": false,
      "explicitly_negative": true,
      "value": null,
      "operator": null,
      "units": null,
      "endpoint": "qualitative",
      "method": "Binding selectivity; assay method not verified in Figure S2",
      "source_id": "P5:S:WEI2024",
      "source_url": "https://febs.onlinelibrary.wiley.com/doi/full/10.1002/1873-3468.14981",
      "source_location": "Results: selectivity paragraph referring to Figure S2",
      "source_verification_scope": "Official publisher full HTML independently inspected: Methods, Results and Figures 1–4 captions; original Supplementary Figure S2 was not retrieved",
      "verification_status": "primary_source_verified",
      "remaining_uncertainty": "No concentration limit, numeric Kd, assay method or construct boundaries assigned without original Supplementary Figure S2. Protein has the named PWWP domain; this qualitative observation is not an unbounded inactivity claim.",
      "rule": "Phase5 source-curated evidence_class, material, target_scope, source role; no inferred affinities"
    },
    {
      "observation_id": "PWWP5:ASSAY:0033",
      "compound_id": "PREP:DEFREITAS2021_1",
      "preparation_id": "PREP:DEFREITAS2021_1",
      "chemical_id": null,
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "target_scope": "domain_specific",
      "target_variant": null,
      "molecular_entity_type": "small_molecule_preparation",
      "source_role": "fragment_hit",
      "evidence_type": "direct_binding",
      "measured": true,
      "studied_compound": true,
      "positive_direct_binder": true,
      "reported_probe": false,
      "reported_control": false,
      "reported_cellular": false,
      "explicitly_negative": false,
      "value": 41,
      "operator": "=",
      "units": "µM",
      "endpoint": "Kd",
      "method": "SPR",
      "source_id": "P5:S:DEFREITAS2021",
      "source_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC8130708/",
      "source_location": "Results; Figure S1a",
      "source_verification_scope": "NCBI BioC primary full text; Results, SPR Methods and figure captions; supplementary numerical figure images not independently retrieved",
      "verification_status": "primary_source_verified",
      "remaining_uncertainty": "Source text directly reports preparation and Kd ± uncertainty; supplementary figure and compound-1-specific buffer/construct/statistic not independently recovered. The SPR Methods paragraph explicitly names 3f, so its conditions are not copied to compound 1.",
      "rule": "Phase5 source-curated evidence_class, material, target_scope, source role; no inferred affinities"
    },
    {
      "observation_id": "PWWP5:ASSAY:0034",
      "compound_id": "PREP:DEFREITAS2021_1",
      "preparation_id": "PREP:DEFREITAS2021_1",
      "chemical_id": null,
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "target_scope": "domain_specific",
      "target_variant": null,
      "molecular_entity_type": "small_molecule_preparation",
      "source_role": "fragment_hit",
      "evidence_type": "direct_binding",
      "measured": true,
      "studied_compound": true,
      "positive_direct_binder": true,
      "reported_probe": false,
      "reported_control": false,
      "reported_cellular": false,
      "explicitly_negative": false,
      "value": 8.9,
      "operator": "=",
      "units": "µM",
      "endpoint": "Kd",
      "method": "Reverse ITC",
      "source_id": "P5:S:DEFREITAS2021",
      "source_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC8130708/",
      "source_location": "Results; Figure S1b",
      "source_verification_scope": "NCBI BioC primary full text; Results, SPR Methods and figure captions; supplementary numerical figure images not independently retrieved",
      "verification_status": "primary_source_verified",
      "remaining_uncertainty": "No uncertainty, replicate count or exact stereochemical assignment inferred from the primary Results value. A distinct reverse-ITC experiment is retained separately from SPR.",
      "rule": "Phase5 source-curated evidence_class, material, target_scope, source role; no inferred affinities"
    }
  ],
  "sites": [
    {
      "site_id": "PDB:6R3E:LIG:C:96H:501:.:SITE:UP:Q9UBC3:PWWP1:A",
      "chemical_id": "INCHIKEY:SLINHMUFWFWBMU-CIUDSAMLSA-N",
      "compound_id": "INCHIKEY:SLINHMUFWFWBMU-CIUDSAMLSA-N",
      "pdb_id": "6R3E",
      "ligand_instance_id": "PDB:6R3E:LIG:C:96H:501:.",
      "protein_id": "UP:Q9UBC3",
      "domain_id": "UP:Q9UBC3:PWWP1",
      "source_role": "experimentally deposited ligand",
      "role_code": "deposited_research_ligand",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/6R3E",
      "ccd_url": "https://www.rcsb.org/ligand/96H",
      "coordinate_sha256": "f11f4e7bcd8a67152407442feee80117e2f1d3146e35bbce7e8eacb39e404552",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:29HH:LIG:H:A1J20:501:.:SITE:UP:O96028:PWWP2:B",
      "chemical_id": "INCHIKEY:DEWAWAOVHSEUOF-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:DEWAWAOVHSEUOF-UHFFFAOYSA-N",
      "pdb_id": "29HH",
      "ligand_instance_id": "PDB:29HH:LIG:H:A1J20:501:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP2",
      "source_role": "experimentally studied degrader",
      "role_code": "reported_degrader_structural_ligand",
      "role_group": "research_ligand",
      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/29HH",
      "ccd_url": "https://www.rcsb.org/ligand/A1J20",
      "coordinate_sha256": "d1d9bbfadba269f65d5b8dfcc21fdf9e6deedbdcec335be210174d043d4416b9",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:29HG:LIG:F:A1J20:1401:.:SITE:UP:O96028:PWWP2:B",
      "chemical_id": "INCHIKEY:DEWAWAOVHSEUOF-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:DEWAWAOVHSEUOF-UHFFFAOYSA-N",
      "pdb_id": "29HG",
      "ligand_instance_id": "PDB:29HG:LIG:F:A1J20:1401:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP2",
      "source_role": "experimentally studied degrader",
      "role_code": "reported_degrader_structural_ligand",
      "role_group": "research_ligand",
      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/29HG",
      "ccd_url": "https://www.rcsb.org/ligand/A1J20",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:29HI:LIG:F:A1J21:501:.:SITE:UP:O96028:PWWP2:B",
      "chemical_id": "INCHIKEY:AIMZAKOWTDKKHP-HNECRKQMSA-N",
      "compound_id": "INCHIKEY:AIMZAKOWTDKKHP-HNECRKQMSA-N",
      "pdb_id": "29HI",
      "ligand_instance_id": "PDB:29HI:LIG:F:A1J21:501:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP2",
      "source_role": "experimentally studied degrader",
      "role_code": "reported_degrader_structural_ligand",
      "role_group": "research_ligand",
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      "structural_research_ligand": false,
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      "source_url": "https://www.rcsb.org/structure/29HI",
      "ccd_url": "https://www.rcsb.org/ligand/A1J21",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:3LLR:LIG:I:BTB:154:.:SITE:UP:Q9Y6K1:PWWP1:E",
      "chemical_id": "INCHIKEY:OWMVSZAMULFTJU-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:OWMVSZAMULFTJU-UHFFFAOYSA-N",
      "pdb_id": "3LLR",
      "ligand_instance_id": "PDB:3LLR:LIG:I:BTB:154:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "buffer/additive",
      "role_code": "buffer_component",
      "role_group": "other_component",
      "exact_pwwp_contact": false,
      "contact_class": "isolated_construct_contact_outside_annotations",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/3LLR",
      "ccd_url": "https://www.rcsb.org/ligand/BTB",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:4COS:LIG:F:DIO:1404:.:SITE:UP:Q9ULU4:PWWP1:A",
      "chemical_id": "INCHIKEY:RYHBNJHYFVUHQT-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:RYHBNJHYFVUHQT-UHFFFAOYSA-N",
      "pdb_id": "4COS",
      "ligand_instance_id": "PDB:4COS:LIG:F:DIO:1404:.",
      "protein_id": "UP:Q9ULU4",
      "domain_id": "UP:Q9ULU4:PWWP1",
      "source_role": "solvent",
      "role_code": "solvent",
      "role_group": "other_component",
      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/4COS",
      "ccd_url": "https://www.rcsb.org/ligand/DIO",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5Y1Z:LIG:Q:GOL:506:.:SITE:UP:Q9ULU4:PWWP1:C",
      "chemical_id": "INCHIKEY:PEDCQBHIVMGVHV-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PEDCQBHIVMGVHV-UHFFFAOYSA-N",
      "pdb_id": "5Y1Z",
      "ligand_instance_id": "PDB:5Y1Z:LIG:Q:GOL:506:.",
      "protein_id": "UP:Q9ULU4",
      "domain_id": "UP:Q9ULU4:PWWP1",
      "source_role": "cryoprotectant/additive",
      "role_code": "cryoprotectant",
      "role_group": "other_component",
      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/5Y1Z",
      "ccd_url": "https://www.rcsb.org/ligand/GOL",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5Y1Z:LIG:Q:GOL:506:.:SITE:UP:Q9ULU4:PWWP1:D",
      "chemical_id": "INCHIKEY:PEDCQBHIVMGVHV-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PEDCQBHIVMGVHV-UHFFFAOYSA-N",
      "pdb_id": "5Y1Z",
      "ligand_instance_id": "PDB:5Y1Z:LIG:Q:GOL:506:.",
      "protein_id": "UP:Q9ULU4",
      "domain_id": "UP:Q9ULU4:PWWP1",
      "source_role": "cryoprotectant/additive",
      "role_code": "cryoprotectant",
      "role_group": "other_component",
      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/5Y1Z",
      "ccd_url": "https://www.rcsb.org/ligand/GOL",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:4N4H:LIG:E:PEG:403:.:SITE:UP:Q8R5C8:PWWP1:A",
      "chemical_id": "INCHIKEY:MTHSVFCYNBDYFN-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:MTHSVFCYNBDYFN-UHFFFAOYSA-N",
      "pdb_id": "4N4H",
      "ligand_instance_id": "PDB:4N4H:LIG:E:PEG:403:.",
      "protein_id": "UP:Q8R5C8",
      "domain_id": "UP:Q8R5C8:PWWP1",
      "source_role": "crystallization additive",
      "role_code": "crystallization_additive",
      "role_group": "other_component",
      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/4N4H",
      "ccd_url": "https://www.rcsb.org/ligand/PEG",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:4N4I:LIG:E:PEG:403:.:SITE:UP:Q8R5C8:PWWP1:A",
      "chemical_id": "INCHIKEY:MTHSVFCYNBDYFN-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:MTHSVFCYNBDYFN-UHFFFAOYSA-N",
      "pdb_id": "4N4I",
      "ligand_instance_id": "PDB:4N4I:LIG:E:PEG:403:.",
      "protein_id": "UP:Q8R5C8",
      "domain_id": "UP:Q8R5C8:PWWP1",
      "source_role": "crystallization additive",
      "role_code": "crystallization_additive",
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      "source_url": "https://www.rcsb.org/structure/4N4I",
      "ccd_url": "https://www.rcsb.org/ligand/PEG",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:8EIJ:LIG:D:SAH:901:.:SITE:UP:Q9UBC3:PWWP1:A",
      "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
      "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
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      "ligand_instance_id": "PDB:8EIJ:LIG:D:SAH:901:.",
      "protein_id": "UP:Q9UBC3",
      "domain_id": "UP:Q9UBC3:PWWP1",
      "source_role": "biological cofactor",
      "role_code": "non_pwwp_biological_cofactor",
      "role_group": "other_component",
      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:8EIH:LIG:F:SAH:901:.:SITE:UP:Q9UBC3:PWWP1:A",
      "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
      "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
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      "ligand_instance_id": "PDB:8EIH:LIG:F:SAH:901:.",
      "protein_id": "UP:Q9UBC3",
      "domain_id": "UP:Q9UBC3:PWWP1",
      "source_role": "biological cofactor",
      "role_code": "non_pwwp_biological_cofactor",
      "role_group": "other_component",
      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
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      "observed_other_component": true,
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      "ccd_url": "https://www.rcsb.org/ligand/SAH",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:8EIK:LIG:G:SAH:901:.:SITE:UP:Q9UBC3:PWWP1:A",
      "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
      "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
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      "ligand_instance_id": "PDB:8EIK:LIG:G:SAH:901:.",
      "protein_id": "UP:Q9UBC3",
      "domain_id": "UP:Q9UBC3:PWWP1",
      "source_role": "biological cofactor",
      "role_code": "non_pwwp_biological_cofactor",
      "role_group": "other_component",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:8EII:LIG:E:SAH:901:.:SITE:UP:Q9UBC3:PWWP1:A",
      "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
      "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
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      "protein_id": "UP:Q9UBC3",
      "domain_id": "UP:Q9UBC3:PWWP1",
      "source_role": "biological cofactor",
      "role_code": "non_pwwp_biological_cofactor",
      "role_group": "other_component",
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      "observed_other_component": true,
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      "ccd_url": "https://www.rcsb.org/ligand/SAH",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:11OA:LIG:V:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:A",
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      "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
      "pdb_id": "11OA",
      "ligand_instance_id": "PDB:11OA:LIG:V:SAH:1004:.",
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      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "biological cofactor",
      "role_code": "non_pwwp_biological_cofactor",
      "role_group": "other_component",
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      "ccd_url": "https://www.rcsb.org/ligand/SAH",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:11NZ:LIG:K:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:A",
      "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
      "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
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      "ligand_instance_id": "PDB:11NZ:LIG:K:SAH:1001:.",
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      "source_role": "biological cofactor",
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      "role_group": "other_component",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9PRW:LIG:E:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:A",
      "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
      "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
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      "ligand_instance_id": "PDB:9PRW:LIG:E:SAH:1001:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "biological cofactor",
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      "observed_other_component": true,
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      "ccd_url": "https://www.rcsb.org/ligand/SAH",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:11OI:LIG:O:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:E",
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      "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
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      "ligand_instance_id": "PDB:11OI:LIG:O:SAH:1001:.",
      "protein_id": "UP:Q9Y6K1",
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      "source_role": "biological cofactor",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9MPO:LIG:J:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:A",
      "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
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      "ligand_instance_id": "PDB:9MPO:LIG:J:SAH:1004:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "biological cofactor",
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    },
    {
      "site_id": "PDB:8EIK:LIG:K:SAH:901:.:SITE:UP:Q9UBC3:PWWP1:B",
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:8EIH:LIG:J:SAH:901:.:SITE:UP:Q9UBC3:PWWP1:B",
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      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:8EII:LIG:I:SAH:901:.:SITE:UP:Q9UBC3:PWWP1:B",
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      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:8EIJ:LIG:H:SAH:901:.:SITE:UP:Q9UBC3:PWWP1:B",
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:11NZ:LIG:L:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:B",
      "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
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      "ligand_instance_id": "PDB:11NZ:LIG:L:SAH:1001:.",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:11OA:LIG:Z:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:B",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:11OH:LIG:M:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:D",
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:11OI:LIG:S:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:F",
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      "source_role": "biological cofactor",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9MPO:LIG:K:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:B",
      "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
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      "ligand_instance_id": "PDB:9MPO:LIG:K:SAH:1001:.",
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      "source_role": "biological cofactor",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:8EIK:LIG:O:SAH:901:.:SITE:UP:Q9UBC3:PWWP1:D",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:11OA:LIG:AA:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:C",
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      "verification_status": "phase5_derived_deposited_geometry",
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:11OI:LIG:G:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:A",
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      "source_role": "biological cofactor",
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      "verification_status": "phase5_derived_deposited_geometry",
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:11OH:LIG:E:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:B",
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      "verification_status": "phase5_derived_deposited_geometry",
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:11NZ:LIG:S:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:C",
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      "verification_status": "phase5_derived_deposited_geometry",
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9MPO:LIG:L:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:C",
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "source_role": "biological cofactor",
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      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/11OA",
      "ccd_url": "https://www.rcsb.org/ligand/SAH",
      "coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:11NZ:LIG:W:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:D",
      "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
      "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
      "pdb_id": "11NZ",
      "ligand_instance_id": "PDB:11NZ:LIG:W:SAH:1004:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "biological cofactor",
      "role_code": "non_pwwp_biological_cofactor",
      "role_group": "other_component",
      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/11NZ",
      "ccd_url": "https://www.rcsb.org/ligand/SAH",
      "coordinate_sha256": "356d7dbef2150e7da14f3292657b228a2292bb71119da5f141ce901b45aad8e3",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:11OI:LIG:K:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:D",
      "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
      "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
      "pdb_id": "11OI",
      "ligand_instance_id": "PDB:11OI:LIG:K:SAH:1001:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "biological cofactor",
      "role_code": "non_pwwp_biological_cofactor",
      "role_group": "other_component",
      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/11OI",
      "ccd_url": "https://www.rcsb.org/ligand/SAH",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9PRW:LIG:O:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:D",
      "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
      "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
      "pdb_id": "9PRW",
      "ligand_instance_id": "PDB:9PRW:LIG:O:SAH:1001:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "biological cofactor",
      "role_code": "non_pwwp_biological_cofactor",
      "role_group": "other_component",
      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/9PRW",
      "ccd_url": "https://www.rcsb.org/ligand/SAH",
      "coordinate_sha256": "a74ad54c6da250a861d665499f5c3edb57c7a49279171e9c6a14b71d0ec6f236",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9MPO:LIG:P:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:D",
      "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
      "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
      "pdb_id": "9MPO",
      "ligand_instance_id": "PDB:9MPO:LIG:P:SAH:1004:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "biological cofactor",
      "role_code": "non_pwwp_biological_cofactor",
      "role_group": "other_component",
      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/9MPO",
      "ccd_url": "https://www.rcsb.org/ligand/SAH",
      "coordinate_sha256": "f202338a40a7a38d3849c1f042a66f42373656578fe6d3b0f57a4b58ce016547",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:11OA:LIG:LA:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:E",
      "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
      "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
      "pdb_id": "11OA",
      "ligand_instance_id": "PDB:11OA:LIG:LA:SAH:1004:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "biological cofactor",
      "role_code": "non_pwwp_biological_cofactor",
      "role_group": "other_component",
      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/11OA",
      "ccd_url": "https://www.rcsb.org/ligand/SAH",
      "coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:11NZ:LIG:X:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:E",
      "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
      "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
      "pdb_id": "11NZ",
      "ligand_instance_id": "PDB:11NZ:LIG:X:SAH:1001:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "biological cofactor",
      "role_code": "non_pwwp_biological_cofactor",
      "role_group": "other_component",
      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/11NZ",
      "ccd_url": "https://www.rcsb.org/ligand/SAH",
      "coordinate_sha256": "356d7dbef2150e7da14f3292657b228a2292bb71119da5f141ce901b45aad8e3",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9MPO:LIG:T:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:E",
      "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
      "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
      "pdb_id": "9MPO",
      "ligand_instance_id": "PDB:9MPO:LIG:T:SAH:1004:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "biological cofactor",
      "role_code": "non_pwwp_biological_cofactor",
      "role_group": "other_component",
      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/9MPO",
      "ccd_url": "https://www.rcsb.org/ligand/SAH",
      "coordinate_sha256": "f202338a40a7a38d3849c1f042a66f42373656578fe6d3b0f57a4b58ce016547",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:11OA:LIG:MA:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:F",
      "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
      "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
      "pdb_id": "11OA",
      "ligand_instance_id": "PDB:11OA:LIG:MA:SAH:1001:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "biological cofactor",
      "role_code": "non_pwwp_biological_cofactor",
      "role_group": "other_component",
      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/11OA",
      "ccd_url": "https://www.rcsb.org/ligand/SAH",
      "coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:11NZ:LIG:BA:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:F",
      "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
      "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
      "pdb_id": "11NZ",
      "ligand_instance_id": "PDB:11NZ:LIG:BA:SAH:1001:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "biological cofactor",
      "role_code": "non_pwwp_biological_cofactor",
      "role_group": "other_component",
      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/11NZ",
      "ccd_url": "https://www.rcsb.org/ligand/SAH",
      "coordinate_sha256": "356d7dbef2150e7da14f3292657b228a2292bb71119da5f141ce901b45aad8e3",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9MPO:LIG:X:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:F",
      "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
      "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
      "pdb_id": "9MPO",
      "ligand_instance_id": "PDB:9MPO:LIG:X:SAH:1004:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "biological cofactor",
      "role_code": "non_pwwp_biological_cofactor",
      "role_group": "other_component",
      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/9MPO",
      "ccd_url": "https://www.rcsb.org/ligand/SAH",
      "coordinate_sha256": "f202338a40a7a38d3849c1f042a66f42373656578fe6d3b0f57a4b58ce016547",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:11OA:LIG:QA:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:G",
      "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
      "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
      "pdb_id": "11OA",
      "ligand_instance_id": "PDB:11OA:LIG:QA:SAH:1001:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "biological cofactor",
      "role_code": "non_pwwp_biological_cofactor",
      "role_group": "other_component",
      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/11OA",
      "ccd_url": "https://www.rcsb.org/ligand/SAH",
      "coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:11NZ:LIG:IA:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:G",
      "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
      "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
      "pdb_id": "11NZ",
      "ligand_instance_id": "PDB:11NZ:LIG:IA:SAH:1004:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "biological cofactor",
      "role_code": "non_pwwp_biological_cofactor",
      "role_group": "other_component",
      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/11NZ",
      "ccd_url": "https://www.rcsb.org/ligand/SAH",
      "coordinate_sha256": "356d7dbef2150e7da14f3292657b228a2292bb71119da5f141ce901b45aad8e3",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:11NZ:LIG:JA:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:H",
      "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
      "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
      "pdb_id": "11NZ",
      "ligand_instance_id": "PDB:11NZ:LIG:JA:SAH:1001:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "biological cofactor",
      "role_code": "non_pwwp_biological_cofactor",
      "role_group": "other_component",
      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/11NZ",
      "ccd_url": "https://www.rcsb.org/ligand/SAH",
      "coordinate_sha256": "356d7dbef2150e7da14f3292657b228a2292bb71119da5f141ce901b45aad8e3",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:11OA:LIG:XA:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:H",
      "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
      "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
      "pdb_id": "11OA",
      "ligand_instance_id": "PDB:11OA:LIG:XA:SAH:1004:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "biological cofactor",
      "role_code": "non_pwwp_biological_cofactor",
      "role_group": "other_component",
      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/11OA",
      "ccd_url": "https://www.rcsb.org/ligand/SAH",
      "coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:11OA:LIG:YA:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:I",
      "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
      "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
      "pdb_id": "11OA",
      "ligand_instance_id": "PDB:11OA:LIG:YA:SAH:1001:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "biological cofactor",
      "role_code": "non_pwwp_biological_cofactor",
      "role_group": "other_component",
      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/11OA",
      "ccd_url": "https://www.rcsb.org/ligand/SAH",
      "coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:11NZ:LIG:NA:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:I",
      "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
      "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
      "pdb_id": "11NZ",
      "ligand_instance_id": "PDB:11NZ:LIG:NA:SAH:1001:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "biological cofactor",
      "role_code": "non_pwwp_biological_cofactor",
      "role_group": "other_component",
      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/11NZ",
      "ccd_url": "https://www.rcsb.org/ligand/SAH",
      "coordinate_sha256": "356d7dbef2150e7da14f3292657b228a2292bb71119da5f141ce901b45aad8e3",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:11OA:LIG:FB:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:J",
      "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
      "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
      "pdb_id": "11OA",
      "ligand_instance_id": "PDB:11OA:LIG:FB:SAH:1004:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "biological cofactor",
      "role_code": "non_pwwp_biological_cofactor",
      "role_group": "other_component",
      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/11OA",
      "ccd_url": "https://www.rcsb.org/ligand/SAH",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:11NZ:LIG:RA:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:J",
      "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
      "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
      "pdb_id": "11NZ",
      "ligand_instance_id": "PDB:11NZ:LIG:RA:SAH:1001:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "biological cofactor",
      "role_code": "non_pwwp_biological_cofactor",
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      "exact_pwwp_contact": false,
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      "structural_research_ligand": false,
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      "ccd_url": "https://www.rcsb.org/ligand/SAH",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:6PA7:LIG:R:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:K",
      "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
      "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
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      "ligand_instance_id": "PDB:6PA7:LIG:R:SAH:1001:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "biological cofactor",
      "role_code": "non_pwwp_biological_cofactor",
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      "ccd_url": "https://www.rcsb.org/ligand/SAH",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9E0G:LIG:O:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:D",
      "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
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      "ligand_instance_id": "PDB:9E0G:LIG:O:SAH:1004:.",
      "protein_id": "UP:Q9Y6K1",
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      "source_role": "biological cofactor",
      "role_code": "non_pwwp_biological_cofactor",
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      "ccd_url": "https://www.rcsb.org/ligand/SAH",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9MPP:LIG:V:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:M",
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      "ligand_instance_id": "PDB:9MPP:LIG:V:SAH:1001:.",
      "protein_id": "UP:Q9Y6K1",
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      "source_role": "biological cofactor",
      "role_code": "non_pwwp_biological_cofactor",
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      "source_url": "https://www.rcsb.org/structure/9MPP",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9E2D:LIG:VA:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:X",
      "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
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      "ligand_instance_id": "PDB:9E2D:LIG:VA:SAH:1004:.",
      "protein_id": "UP:Q9Y6K1",
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      "source_role": "biological cofactor",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9E2Q:LIG:VA:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:Z",
      "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
      "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
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      "ligand_instance_id": "PDB:9E2Q:LIG:VA:SAH:1004:.",
      "protein_id": "UP:Q9Y6K1",
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      "source_role": "biological cofactor",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9E05:LIG:VA:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:Z",
      "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
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      "ligand_instance_id": "PDB:9E05:LIG:VA:SAH:1004:.",
      "protein_id": "UP:Q9Y6K1",
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      "source_role": "biological cofactor",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9E3R:LIG:VA:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:Z",
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      "ligand_instance_id": "PDB:9E3R:LIG:VA:SAH:1004:.",
      "protein_id": "UP:Q9Y6K1",
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      "source_role": "biological cofactor",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9E00:LIG:MA:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:Z",
      "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
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      "protein_id": "UP:Q9Y6K1",
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      "source_role": "biological cofactor",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9E2R:LIG:VA:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:Z",
      "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
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      "ligand_instance_id": "PDB:9E2R:LIG:VA:SAH:1004:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "biological cofactor",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:11OA:LIG:GB:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:L",
      "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9MP0:LIG:N:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:A",
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      "source_role": "biological cofactor",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:11OA:LIG:KB:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:M",
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      "ligand_instance_id": "PDB:11OA:LIG:KB:SAH:1004:.",
      "protein_id": "UP:Q9Y6K1",
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      "source_role": "biological cofactor",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9MP0:LIG:R:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:B",
      "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
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      "ligand_instance_id": "PDB:9MP0:LIG:R:SAH:1004:.",
      "protein_id": "UP:Q9Y6K1",
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      "source_role": "biological cofactor",
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      "ccd_url": "https://www.rcsb.org/ligand/SAH",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9MPP:LIG:R:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:K",
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      "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
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      "ligand_instance_id": "PDB:9MPP:LIG:R:SAH:1004:.",
      "protein_id": "UP:Q9Y6K1",
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      "source_role": "biological cofactor",
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      "source_url": "https://www.rcsb.org/structure/9MPP",
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      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:11OA:LIG:LB:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:N",
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      "ligand_instance_id": "PDB:11OA:LIG:LB:SAH:1001:.",
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      "source_role": "biological cofactor",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9MP0:LIG:V:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:C",
      "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
      "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
      "pdb_id": "9MP0",
      "ligand_instance_id": "PDB:9MP0:LIG:V:SAH:1004:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "biological cofactor",
      "role_code": "non_pwwp_biological_cofactor",
      "role_group": "other_component",
      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/9MP0",
      "ccd_url": "https://www.rcsb.org/ligand/SAH",
      "coordinate_sha256": "bdd61f49181bc06c097b520c53fcb026f13b3cd9ecd0edf642fd5178aa8998ac",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:11OA:LIG:PB:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:O",
      "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
      "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
      "pdb_id": "11OA",
      "ligand_instance_id": "PDB:11OA:LIG:PB:SAH:1001:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "biological cofactor",
      "role_code": "non_pwwp_biological_cofactor",
      "role_group": "other_component",
      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/11OA",
      "ccd_url": "https://www.rcsb.org/ligand/SAH",
      "coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9MP0:LIG:Z:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:D",
      "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
      "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
      "pdb_id": "9MP0",
      "ligand_instance_id": "PDB:9MP0:LIG:Z:SAH:1004:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "biological cofactor",
      "role_code": "non_pwwp_biological_cofactor",
      "role_group": "other_component",
      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/9MP0",
      "ccd_url": "https://www.rcsb.org/ligand/SAH",
      "coordinate_sha256": "bdd61f49181bc06c097b520c53fcb026f13b3cd9ecd0edf642fd5178aa8998ac",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:6PA7:LIG:S:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:M",
      "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
      "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
      "pdb_id": "6PA7",
      "ligand_instance_id": "PDB:6PA7:LIG:S:SAH:1001:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "biological cofactor",
      "role_code": "non_pwwp_biological_cofactor",
      "role_group": "other_component",
      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/6PA7",
      "ccd_url": "https://www.rcsb.org/ligand/SAH",
      "coordinate_sha256": "79215faaf437b7575076343815034f0af7341748b6b312143a0274192b0c57bb",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:11OA:LIG:WB:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:P",
      "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
      "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
      "pdb_id": "11OA",
      "ligand_instance_id": "PDB:11OA:LIG:WB:SAH:1004:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "biological cofactor",
      "role_code": "non_pwwp_biological_cofactor",
      "role_group": "other_component",
      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/11OA",
      "ccd_url": "https://www.rcsb.org/ligand/SAH",
      "coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:11OA:LIG:XB:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:Q",
      "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
      "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
      "pdb_id": "11OA",
      "ligand_instance_id": "PDB:11OA:LIG:XB:SAH:1001:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "biological cofactor",
      "role_code": "non_pwwp_biological_cofactor",
      "role_group": "other_component",
      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/11OA",
      "ccd_url": "https://www.rcsb.org/ligand/SAH",
      "coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9MP0:LIG:DA:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:E",
      "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
      "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
      "pdb_id": "9MP0",
      "ligand_instance_id": "PDB:9MP0:LIG:DA:SAH:1004:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "biological cofactor",
      "role_code": "non_pwwp_biological_cofactor",
      "role_group": "other_component",
      "exact_pwwp_contact": false,
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      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/9MP0",
      "ccd_url": "https://www.rcsb.org/ligand/SAH",
      "coordinate_sha256": "bdd61f49181bc06c097b520c53fcb026f13b3cd9ecd0edf642fd5178aa8998ac",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9MP0:LIG:HA:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:F",
      "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
      "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
      "pdb_id": "9MP0",
      "ligand_instance_id": "PDB:9MP0:LIG:HA:SAH:1004:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "biological cofactor",
      "role_code": "non_pwwp_biological_cofactor",
      "role_group": "other_component",
      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/9MP0",
      "ccd_url": "https://www.rcsb.org/ligand/SAH",
      "coordinate_sha256": "bdd61f49181bc06c097b520c53fcb026f13b3cd9ecd0edf642fd5178aa8998ac",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9MP0:LIG:LA:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:G",
      "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
      "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
      "pdb_id": "9MP0",
      "ligand_instance_id": "PDB:9MP0:LIG:LA:SAH:1004:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "biological cofactor",
      "role_code": "non_pwwp_biological_cofactor",
      "role_group": "other_component",
      "exact_pwwp_contact": false,
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      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/9MP0",
      "ccd_url": "https://www.rcsb.org/ligand/SAH",
      "coordinate_sha256": "bdd61f49181bc06c097b520c53fcb026f13b3cd9ecd0edf642fd5178aa8998ac",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9E0F:LIG:K:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:C",
      "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
      "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
      "pdb_id": "9E0F",
      "ligand_instance_id": "PDB:9E0F:LIG:K:SAH:1004:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "biological cofactor",
      "role_code": "non_pwwp_biological_cofactor",
      "role_group": "other_component",
      "exact_pwwp_contact": false,
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      "structural_research_ligand": false,
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      "source_url": "https://www.rcsb.org/structure/9E0F",
      "ccd_url": "https://www.rcsb.org/ligand/SAH",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9MP0:LIG:PA:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:H",
      "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
      "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
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      "ligand_instance_id": "PDB:9MP0:LIG:PA:SAH:1004:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "biological cofactor",
      "role_code": "non_pwwp_biological_cofactor",
      "role_group": "other_component",
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      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/9MP0",
      "ccd_url": "https://www.rcsb.org/ligand/SAH",
      "coordinate_sha256": "bdd61f49181bc06c097b520c53fcb026f13b3cd9ecd0edf642fd5178aa8998ac",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9E3U:LIG:V:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:N",
      "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
      "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
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      "ligand_instance_id": "PDB:9E3U:LIG:V:SAH:1004:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "biological cofactor",
      "role_code": "non_pwwp_biological_cofactor",
      "role_group": "other_component",
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      "ccd_url": "https://www.rcsb.org/ligand/SAH",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9E2D:LIG:GA:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:S",
      "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
      "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
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      "ligand_instance_id": "PDB:9E2D:LIG:GA:SAH:1004:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "biological cofactor",
      "role_code": "non_pwwp_biological_cofactor",
      "role_group": "other_component",
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      "ccd_url": "https://www.rcsb.org/ligand/SAH",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9E2Q:LIG:GA:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:U",
      "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
      "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
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      "ligand_instance_id": "PDB:9E2Q:LIG:GA:SAH:1004:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "biological cofactor",
      "role_code": "non_pwwp_biological_cofactor",
      "role_group": "other_component",
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      "structural_research_ligand": false,
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      "ccd_url": "https://www.rcsb.org/ligand/SAH",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9E00:LIG:DA:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:U",
      "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
      "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
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      "ligand_instance_id": "PDB:9E00:LIG:DA:SAH:1001:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "biological cofactor",
      "role_code": "non_pwwp_biological_cofactor",
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      "structural_research_ligand": false,
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      "ccd_url": "https://www.rcsb.org/ligand/SAH",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9E05:LIG:GA:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:U",
      "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
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      "ligand_instance_id": "PDB:9E05:LIG:GA:SAH:1004:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "biological cofactor",
      "role_code": "non_pwwp_biological_cofactor",
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      "ccd_url": "https://www.rcsb.org/ligand/SAH",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9E2R:LIG:GA:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:U",
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      "ligand_instance_id": "PDB:9E2R:LIG:GA:SAH:1004:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "biological cofactor",
      "role_code": "non_pwwp_biological_cofactor",
      "role_group": "other_component",
      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/9E2R",
      "ccd_url": "https://www.rcsb.org/ligand/SAH",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9E3D:LIG:CA:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:U",
      "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
      "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
      "pdb_id": "9E3D",
      "ligand_instance_id": "PDB:9E3D:LIG:CA:SAH:1004:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "biological cofactor",
      "role_code": "non_pwwp_biological_cofactor",
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      "ccd_url": "https://www.rcsb.org/ligand/SAH",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9E3R:LIG:GA:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:U",
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      "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
      "pdb_id": "9E3R",
      "ligand_instance_id": "PDB:9E3R:LIG:GA:SAH:1004:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "biological cofactor",
      "role_code": "non_pwwp_biological_cofactor",
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      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/9E3R",
      "ccd_url": "https://www.rcsb.org/ligand/SAH",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9E0G:LIG:K:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:C",
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      "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
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      "ligand_instance_id": "PDB:9E0G:LIG:K:SAH:1004:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "biological cofactor",
      "role_code": "non_pwwp_biological_cofactor",
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      "ccd_url": "https://www.rcsb.org/ligand/SAH",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9E2D:LIG:RA:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:W",
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      "pdb_id": "9E2D",
      "ligand_instance_id": "PDB:9E2D:LIG:RA:SAH:1004:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "biological cofactor",
      "role_code": "non_pwwp_biological_cofactor",
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      "exact_pwwp_contact": false,
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      "observed_other_component": true,
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      "ccd_url": "https://www.rcsb.org/ligand/SAH",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9E2Q:LIG:RA:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:Y",
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      "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
      "pdb_id": "9E2Q",
      "ligand_instance_id": "PDB:9E2Q:LIG:RA:SAH:1004:.",
      "protein_id": "UP:Q9Y6K1",
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      "source_role": "biological cofactor",
      "role_code": "non_pwwp_biological_cofactor",
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      "ccd_url": "https://www.rcsb.org/ligand/SAH",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9E05:LIG:RA:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:Y",
      "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
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      "ligand_instance_id": "PDB:9E05:LIG:RA:SAH:1004:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "biological cofactor",
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      "ccd_url": "https://www.rcsb.org/ligand/SAH",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9E00:LIG:LA:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:Y",
      "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
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      "pdb_id": "9E00",
      "ligand_instance_id": "PDB:9E00:LIG:LA:SAH:1001:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "biological cofactor",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9E3R:LIG:RA:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:Y",
      "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
      "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
      "pdb_id": "9E3R",
      "ligand_instance_id": "PDB:9E3R:LIG:RA:SAH:1004:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "biological cofactor",
      "role_code": "non_pwwp_biological_cofactor",
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      "ccd_url": "https://www.rcsb.org/ligand/SAH",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9E2R:LIG:RA:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:Y",
      "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
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      "ligand_instance_id": "PDB:9E2R:LIG:RA:SAH:1004:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "biological cofactor",
      "role_code": "non_pwwp_biological_cofactor",
      "role_group": "other_component",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9E0F:LIG:O:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:D",
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      "ligand_instance_id": "PDB:9E0F:LIG:O:SAH:1004:.",
      "protein_id": "UP:Q9Y6K1",
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      "source_role": "biological cofactor",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9E3U:LIG:Z:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:O",
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      "protein_id": "UP:Q9Y6K1",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9E2D:LIG:KA:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:T",
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      "protein_id": "UP:Q9Y6K1",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9E2Q:LIG:KA:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:V",
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      "ligand_instance_id": "PDB:9E2Q:LIG:KA:SAH:1004:.",
      "protein_id": "UP:Q9Y6K1",
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      "source_role": "biological cofactor",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9E3D:LIG:GA:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:V",
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      "ligand_instance_id": "PDB:9E3D:LIG:GA:SAH:1004:.",
      "protein_id": "UP:Q9Y6K1",
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      "source_role": "biological cofactor",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9E3R:LIG:HA:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:V",
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      "ligand_instance_id": "PDB:9E3R:LIG:HA:SAH:1001:.",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9E2R:LIG:KA:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:V",
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      "ligand_instance_id": "PDB:9E2R:LIG:KA:SAH:1004:.",
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      "source_role": "biological cofactor",
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      "ccd_url": "https://www.rcsb.org/ligand/SAH",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9E00:LIG:HA:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:V",
      "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
      "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
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      "ligand_instance_id": "PDB:9E00:LIG:HA:SAH:1004:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "biological cofactor",
      "role_code": "non_pwwp_biological_cofactor",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "protein_id": "UP:Q9Y6K1",
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      "source_role": "biological cofactor",
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      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9Y4P:LIG:GA:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:U",
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      "source_role": "biological cofactor",
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      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9Y4P:LIG:KA:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:V",
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      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
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    },
    {
      "site_id": "PDB:9Y4P:LIG:VA:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:Z",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9Y4P:LIG:RA:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:Y",
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    },
    {
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      "ligand_instance_id": "PDB:7CRO:LIG:L:SAM:1401:.",
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      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
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    },
    {
      "site_id": "PDB:7CRQ:LIG:M:SAM:1501:.:SITE:UP:Q9BZ95:PWWP2:K",
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    },
    {
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    },
    {
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      "source_role": "biological cofactor",
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    },
    {
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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    },
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:8EIK:LIG:H:ZN:902:.:SITE:UP:Q9UBC3:PWWP1:A",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:8EII:LIG:G:ZN:903:.:SITE:UP:Q9UBC3:PWWP1:A",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
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      "source_role": "ion/cofactor_requires_context",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
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    },
    {
      "site_id": "PDB:8EIH:LIG:H:ZN:903:.:SITE:UP:Q9UBC3:PWWP1:A",
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      "source_role": "ion/cofactor_requires_context",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:8EIK:LIG:I:ZN:903:.:SITE:UP:Q9UBC3:PWWP1:A",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:8EIJ:LIG:F:ZN:903:.:SITE:UP:Q9UBC3:PWWP1:A",
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      "ligand_instance_id": "PDB:8EIJ:LIG:F:ZN:903:.",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:8EIJ:LIG:G:ZN:904:.:SITE:UP:Q9UBC3:PWWP1:A",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:8EIK:LIG:J:ZN:904:.:SITE:UP:Q9UBC3:PWWP1:A",
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      "ligand_instance_id": "PDB:8EIK:LIG:J:ZN:904:.",
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      "source_role": "ion/cofactor_requires_context",
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      "verification_status": "phase5_derived_deposited_geometry",
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:8EIH:LIG:I:ZN:904:.:SITE:UP:Q9UBC3:PWWP1:A",
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      "ligand_instance_id": "PDB:8EIH:LIG:I:ZN:904:.",
      "protein_id": "UP:Q9UBC3",
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      "source_role": "ion/cofactor_requires_context",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:8EII:LIG:H:ZN:904:.:SITE:UP:Q9UBC3:PWWP1:A",
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      "ligand_instance_id": "PDB:8EII:LIG:H:ZN:904:.",
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      "source_role": "ion/cofactor_requires_context",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9PRW:LIG:F:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:A",
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      "ligand_instance_id": "PDB:9PRW:LIG:F:ZN:1002:.",
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    },
    {
      "site_id": "PDB:11OA:LIG:S:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:A",
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      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:11OI:LIG:P:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:E",
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    },
    {
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    },
    {
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    },
    {
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    },
    {
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    },
    {
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      "source_role": "ion/cofactor_requires_context",
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      "contact_class": "noncore_contact_in_multidomain_chain",
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      "ccd_url": "https://www.rcsb.org/ligand/ZN",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9MPO:LIG:H:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:A",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "9MPO",
      "ligand_instance_id": "PDB:9MPO:LIG:H:ZN:1002:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
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      "source_url": "https://www.rcsb.org/structure/9MPO",
      "ccd_url": "https://www.rcsb.org/ligand/ZN",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9LQ1:LIG:H:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:A",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "9LQ1",
      "ligand_instance_id": "PDB:9LQ1:LIG:H:ZN:1002:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
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      "contact_class": "noncore_contact_in_multidomain_chain",
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      "source_url": "https://www.rcsb.org/structure/9LQ1",
      "ccd_url": "https://www.rcsb.org/ligand/ZN",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:11OA:LIG:U:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:A",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "11OA",
      "ligand_instance_id": "PDB:11OA:LIG:U:ZN:1003:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
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      "source_url": "https://www.rcsb.org/structure/11OA",
      "ccd_url": "https://www.rcsb.org/ligand/ZN",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9PRW:LIG:H:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:A",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
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      "ligand_instance_id": "PDB:9PRW:LIG:H:ZN:1004:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
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      "contact_class": "noncore_contact_in_multidomain_chain",
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      "ccd_url": "https://www.rcsb.org/ligand/ZN",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:11OI:LIG:R:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:E",
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      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
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      "ligand_instance_id": "PDB:11OI:LIG:R:ZN:1004:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
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      "source_url": "https://www.rcsb.org/structure/11OI",
      "ccd_url": "https://www.rcsb.org/ligand/ZN",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9MPO:LIG:I:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:A",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
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      "pdb_id": "9MPO",
      "ligand_instance_id": "PDB:9MPO:LIG:I:ZN:1003:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
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      "source_url": "https://www.rcsb.org/structure/9MPO",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9LQ1:LIG:G:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:A",
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      "ligand_instance_id": "PDB:9LQ1:LIG:G:ZN:1001:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:4COS:LIG:C:ZN:1401:.:SITE:UP:Q9ULU4:PWWP1:A",
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      "pdb_id": "4COS",
      "ligand_instance_id": "PDB:4COS:LIG:C:ZN:1401:.",
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      "domain_id": "UP:Q9ULU4:PWWP1",
      "source_role": "ion/cofactor_requires_context",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9T2G:LIG:C:ZN:502:.:SITE:UP:Q9ULU4:PWWP1:A",
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      "ligand_instance_id": "PDB:9T2G:LIG:C:ZN:502:.",
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      "domain_id": "UP:Q9ULU4:PWWP1",
      "source_role": "ion/cofactor_requires_context",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9T2F:LIG:C:ZN:502:.:SITE:UP:Q9ULU4:PWWP1:A",
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      "ligand_instance_id": "PDB:9T2F:LIG:C:ZN:502:.",
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      "source_role": "ion/cofactor_requires_context",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:8EII:LIG:J:ZN:902:.:SITE:UP:Q9UBC3:PWWP1:B",
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      "source_role": "ion/cofactor_requires_context",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:8EIH:LIG:K:ZN:902:.:SITE:UP:Q9UBC3:PWWP1:B",
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      "ligand_instance_id": "PDB:8EIH:LIG:K:ZN:902:.",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:8EIJ:LIG:I:ZN:902:.:SITE:UP:Q9UBC3:PWWP1:B",
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      "verification_status": "phase5_derived_deposited_geometry",
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:8EIK:LIG:L:ZN:902:.:SITE:UP:Q9UBC3:PWWP1:B",
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      "verification_status": "phase5_derived_deposited_geometry",
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:8EIJ:LIG:J:ZN:903:.:SITE:UP:Q9UBC3:PWWP1:B",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:8EII:LIG:K:ZN:903:.:SITE:UP:Q9UBC3:PWWP1:B",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:8EIH:LIG:L:ZN:903:.:SITE:UP:Q9UBC3:PWWP1:B",
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    },
    {
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:8EIK:LIG:N:ZN:904:.:SITE:UP:Q9UBC3:PWWP1:B",
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:8EIH:LIG:M:ZN:904:.:SITE:UP:Q9UBC3:PWWP1:B",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:8EII:LIG:L:ZN:904:.:SITE:UP:Q9UBC3:PWWP1:B",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
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    },
    {
      "site_id": "PDB:8EIJ:LIG:K:ZN:904:.:SITE:UP:Q9UBC3:PWWP1:B",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:11NZ:LIG:M:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:B",
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      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
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      "ligand_instance_id": "PDB:11NZ:LIG:M:ZN:1002:.",
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      "source_role": "ion/cofactor_requires_context",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:11OA:LIG:W:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:B",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
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      "ligand_instance_id": "PDB:11OA:LIG:W:ZN:1001:.",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:11OH:LIG:N:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:D",
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      "ligand_instance_id": "PDB:11OH:LIG:N:ZN:1002:.",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:11OI:LIG:T:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:F",
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      "ligand_instance_id": "PDB:11OI:LIG:T:ZN:1002:.",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:11NZ:LIG:N:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:B",
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      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
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      "ligand_instance_id": "PDB:11NZ:LIG:N:ZN:1003:.",
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      "source_role": "ion/cofactor_requires_context",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:11OA:LIG:X:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:B",
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      "ligand_instance_id": "PDB:11OA:LIG:X:ZN:1002:.",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:11OH:LIG:O:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:D",
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      "verification_status": "phase5_derived_deposited_geometry",
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    },
    {
      "site_id": "PDB:11OI:LIG:U:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:F",
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      "verification_status": "phase5_derived_deposited_geometry",
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    },
    {
      "site_id": "PDB:11NZ:LIG:O:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:B",
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      "verification_status": "phase5_derived_deposited_geometry",
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    },
    {
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      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
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    },
    {
      "site_id": "PDB:11OH:LIG:P:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:D",
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      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
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    },
    {
      "site_id": "PDB:11OI:LIG:V:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:F",
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      "ccd_url": "https://www.rcsb.org/ligand/ZN",
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      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5Y1Z:LIG:H:ZN:503:.:SITE:UP:Q9ULU4:PWWP1:C",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
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      "ligand_instance_id": "PDB:5Y1Z:LIG:H:ZN:503:.",
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      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5Y1Z:LIG:M:ZN:502:.:SITE:UP:Q9ULU4:PWWP1:C",
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      "ligand_instance_id": "PDB:5Y1Z:LIG:M:ZN:502:.",
      "protein_id": "UP:Q9ULU4",
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      "source_role": "ion/cofactor_requires_context",
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      "ccd_url": "https://www.rcsb.org/ligand/ZN",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
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    },
    {
      "site_id": "PDB:8EIH:LIG:N:ZN:901:.:SITE:UP:Q9UBC3:PWWP1:C",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
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      "pdb_id": "8EIH",
      "ligand_instance_id": "PDB:8EIH:LIG:N:ZN:901:.",
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      "source_role": "ion/cofactor_requires_context",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:8EII:LIG:M:ZN:901:.:SITE:UP:Q9UBC3:PWWP1:C",
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      "pdb_id": "8EII",
      "ligand_instance_id": "PDB:8EII:LIG:M:ZN:901:.",
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      "domain_id": "UP:Q9UBC3:PWWP1",
      "source_role": "ion/cofactor_requires_context",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:8EIK:LIG:P:ZN:902:.:SITE:UP:Q9UBC3:PWWP1:D",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "8EIK",
      "ligand_instance_id": "PDB:8EIK:LIG:P:ZN:902:.",
      "protein_id": "UP:Q9UBC3",
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      "source_role": "ion/cofactor_requires_context",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:8EII:LIG:N:ZN:902:.:SITE:UP:Q9UBC3:PWWP1:C",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
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      "ligand_instance_id": "PDB:8EII:LIG:N:ZN:902:.",
      "protein_id": "UP:Q9UBC3",
      "domain_id": "UP:Q9UBC3:PWWP1",
      "source_role": "ion/cofactor_requires_context",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:8EIH:LIG:O:ZN:902:.:SITE:UP:Q9UBC3:PWWP1:C",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
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      "ligand_instance_id": "PDB:8EIH:LIG:O:ZN:902:.",
      "protein_id": "UP:Q9UBC3",
      "domain_id": "UP:Q9UBC3:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
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      "ccd_url": "https://www.rcsb.org/ligand/ZN",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:8EIK:LIG:Q:ZN:903:.:SITE:UP:Q9UBC3:PWWP1:D",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "8EIK",
      "ligand_instance_id": "PDB:8EIK:LIG:Q:ZN:903:.",
      "protein_id": "UP:Q9UBC3",
      "domain_id": "UP:Q9UBC3:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:8EII:LIG:O:ZN:903:.:SITE:UP:Q9UBC3:PWWP1:C",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
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      "ligand_instance_id": "PDB:8EII:LIG:O:ZN:903:.",
      "protein_id": "UP:Q9UBC3",
      "domain_id": "UP:Q9UBC3:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:8EIH:LIG:P:ZN:903:.:SITE:UP:Q9UBC3:PWWP1:C",
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      "ligand_instance_id": "PDB:8EIH:LIG:P:ZN:903:.",
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      "source_role": "ion/cofactor_requires_context",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:8EIK:LIG:R:ZN:904:.:SITE:UP:Q9UBC3:PWWP1:D",
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      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
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      "ligand_instance_id": "PDB:8EIK:LIG:R:ZN:904:.",
      "protein_id": "UP:Q9UBC3",
      "domain_id": "UP:Q9UBC3:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
      "role_group": "context_unresolved",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:11OI:LIG:H:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:A",
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      "source_role": "ion/cofactor_requires_context",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:11OH:LIG:F:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:B",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
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      "ligand_instance_id": "PDB:11OH:LIG:F:ZN:1002:.",
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      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:11NZ:LIG:P:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:C",
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      "ligand_instance_id": "PDB:11NZ:LIG:P:ZN:1001:.",
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      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
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    },
    {
      "site_id": "PDB:11OA:LIG:BA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:C",
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      "ligand_instance_id": "PDB:11OA:LIG:BA:ZN:1002:.",
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      "domain_id": "UP:Q9Y6K1:PWWP1",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:11OI:LIG:I:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:A",
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      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/11OI",
      "ccd_url": "https://www.rcsb.org/ligand/ZN",
      "coordinate_sha256": "6f0a4edba894798ac4af65eaf6759078bf5528df03b455fc7b8ca78239e6b1c0",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:11OH:LIG:G:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:B",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "11OH",
      "ligand_instance_id": "PDB:11OH:LIG:G:ZN:1003:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/11OH",
      "ccd_url": "https://www.rcsb.org/ligand/ZN",
      "coordinate_sha256": "c846f79a5192fb5be74853a52e30b4a155e9512a9a1ce561dcb0a8413e225f29",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:11NZ:LIG:Q:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:C",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "11NZ",
      "ligand_instance_id": "PDB:11NZ:LIG:Q:ZN:1002:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/11NZ",
      "ccd_url": "https://www.rcsb.org/ligand/ZN",
      "coordinate_sha256": "356d7dbef2150e7da14f3292657b228a2292bb71119da5f141ce901b45aad8e3",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:11OA:LIG:CA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:C",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "11OA",
      "ligand_instance_id": "PDB:11OA:LIG:CA:ZN:1003:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/11OA",
      "ccd_url": "https://www.rcsb.org/ligand/ZN",
      "coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:11OI:LIG:J:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:A",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "11OI",
      "ligand_instance_id": "PDB:11OI:LIG:J:ZN:1004:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/11OI",
      "ccd_url": "https://www.rcsb.org/ligand/ZN",
      "coordinate_sha256": "6f0a4edba894798ac4af65eaf6759078bf5528df03b455fc7b8ca78239e6b1c0",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:11OH:LIG:H:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:B",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "11OH",
      "ligand_instance_id": "PDB:11OH:LIG:H:ZN:1004:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/11OH",
      "ccd_url": "https://www.rcsb.org/ligand/ZN",
      "coordinate_sha256": "c846f79a5192fb5be74853a52e30b4a155e9512a9a1ce561dcb0a8413e225f29",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:11OA:LIG:DA:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:C",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "11OA",
      "ligand_instance_id": "PDB:11OA:LIG:DA:ZN:1004:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/11OA",
      "ccd_url": "https://www.rcsb.org/ligand/ZN",
      "coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:11NZ:LIG:R:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:C",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "11NZ",
      "ligand_instance_id": "PDB:11NZ:LIG:R:ZN:1003:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
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      "source_url": "https://www.rcsb.org/structure/11NZ",
      "ccd_url": "https://www.rcsb.org/ligand/ZN",
      "coordinate_sha256": "356d7dbef2150e7da14f3292657b228a2292bb71119da5f141ce901b45aad8e3",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5Y1Z:LIG:F:ZN:501:.:SITE:UP:Q9ULU4:PWWP1:C",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "5Y1Z",
      "ligand_instance_id": "PDB:5Y1Z:LIG:F:ZN:501:.",
      "protein_id": "UP:Q9ULU4",
      "domain_id": "UP:Q9ULU4:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
      "structural_research_ligand": false,
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      "source_url": "https://www.rcsb.org/structure/5Y1Z",
      "ccd_url": "https://www.rcsb.org/ligand/ZN",
      "coordinate_sha256": "be13d6b91869c9f53cf8d4f56feeafd44b575e91a966831894aab4ceffbf73a3",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5Y1Z:LIG:L:ZN:501:.:SITE:UP:Q9ULU4:PWWP1:D",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
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      "ligand_instance_id": "PDB:5Y1Z:LIG:L:ZN:501:.",
      "protein_id": "UP:Q9ULU4",
      "domain_id": "UP:Q9ULU4:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
      "role_group": "context_unresolved",
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      "contact_class": "noncore_contact_in_multidomain_chain",
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      "ccd_url": "https://www.rcsb.org/ligand/ZN",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:8EIH:LIG:Q:ZN:901:.:SITE:UP:Q9UBC3:PWWP1:D",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "8EIH",
      "ligand_instance_id": "PDB:8EIH:LIG:Q:ZN:901:.",
      "protein_id": "UP:Q9UBC3",
      "domain_id": "UP:Q9UBC3:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
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      "ccd_url": "https://www.rcsb.org/ligand/ZN",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:8EIH:LIG:R:ZN:902:.:SITE:UP:Q9UBC3:PWWP1:D",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
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      "ligand_instance_id": "PDB:8EIH:LIG:R:ZN:902:.",
      "protein_id": "UP:Q9UBC3",
      "domain_id": "UP:Q9UBC3:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
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      "ccd_url": "https://www.rcsb.org/ligand/ZN",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:11OH:LIG:J:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:C",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "11OH",
      "ligand_instance_id": "PDB:11OH:LIG:J:ZN:1002:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
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      "ccd_url": "https://www.rcsb.org/ligand/ZN",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9PRW:LIG:P:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:D",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
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      "ligand_instance_id": "PDB:9PRW:LIG:P:ZN:1002:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
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      "ccd_url": "https://www.rcsb.org/ligand/ZN",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:11OA:LIG:EA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:D",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "11OA",
      "ligand_instance_id": "PDB:11OA:LIG:EA:ZN:1001:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
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      "exact_pwwp_contact": false,
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      "source_url": "https://www.rcsb.org/structure/11OA",
      "ccd_url": "https://www.rcsb.org/ligand/ZN",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:11NZ:LIG:T:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:D",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
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      "ligand_instance_id": "PDB:11NZ:LIG:T:ZN:1001:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
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      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
      "structural_research_ligand": false,
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      "source_url": "https://www.rcsb.org/structure/11NZ",
      "ccd_url": "https://www.rcsb.org/ligand/ZN",
      "coordinate_sha256": "356d7dbef2150e7da14f3292657b228a2292bb71119da5f141ce901b45aad8e3",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:11OI:LIG:L:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:D",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
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      "ligand_instance_id": "PDB:11OI:LIG:L:ZN:1002:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
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      "ccd_url": "https://www.rcsb.org/ligand/ZN",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9MPO:LIG:M:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:D",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "9MPO",
      "ligand_instance_id": "PDB:9MPO:LIG:M:ZN:1001:.",
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      "ccd_url": "https://www.rcsb.org/ligand/ZN",
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      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:8EIH:LIG:S:ZN:903:.:SITE:UP:Q9UBC3:PWWP1:D",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
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      "ligand_instance_id": "PDB:8EIH:LIG:S:ZN:903:.",
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      "ccd_url": "https://www.rcsb.org/ligand/ZN",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:11OH:LIG:K:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:C",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "11OH",
      "ligand_instance_id": "PDB:11OH:LIG:K:ZN:1003:.",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:11NZ:LIG:U:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:D",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "11NZ",
      "ligand_instance_id": "PDB:11NZ:LIG:U:ZN:1002:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
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      "ccd_url": "https://www.rcsb.org/ligand/ZN",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
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    },
    {
      "site_id": "PDB:11OA:LIG:FA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:D",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
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      "pdb_id": "11OA",
      "ligand_instance_id": "PDB:11OA:LIG:FA:ZN:1002:.",
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      "ccd_url": "https://www.rcsb.org/ligand/ZN",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:11OI:LIG:M:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:D",
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      "ligand_instance_id": "PDB:11OI:LIG:M:ZN:1003:.",
      "protein_id": "UP:Q9Y6K1",
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      "source_role": "ion/cofactor_requires_context",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9PRW:LIG:Q:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:D",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "9PRW",
      "ligand_instance_id": "PDB:9PRW:LIG:Q:ZN:1003:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
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      "ccd_url": "https://www.rcsb.org/ligand/ZN",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9MPO:LIG:N:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:D",
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      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
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      "ligand_instance_id": "PDB:9MPO:LIG:N:ZN:1002:.",
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      "source_role": "ion/cofactor_requires_context",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:11OH:LIG:L:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:C",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "11OH",
      "ligand_instance_id": "PDB:11OH:LIG:L:ZN:1004:.",
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      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:11NZ:LIG:V:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:D",
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      "ligand_instance_id": "PDB:11NZ:LIG:V:ZN:1003:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:11OI:LIG:N:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:D",
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      "ligand_instance_id": "PDB:11OI:LIG:N:ZN:1004:.",
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      "source_role": "ion/cofactor_requires_context",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
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    },
    {
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      "ligand_instance_id": "PDB:11OA:LIG:GA:ZN:1003:.",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "ligand_instance_id": "PDB:9PRW:LIG:R:ZN:1004:.",
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    },
    {
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    },
    {
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    },
    {
      "site_id": "PDB:8EIK:LIG:S:ZN:901:.:SITE:UP:Q9UBC3:PWWP1:E",
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      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
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    },
    {
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      "ccd_url": "https://www.rcsb.org/ligand/ZN",
      "coordinate_sha256": "b3fff6d453f5904930be422eada40aa426a93990f169f4aeae23fcaa6f781c0d",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:8EIK:LIG:U:ZN:903:.:SITE:UP:Q9UBC3:PWWP1:E",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "8EIK",
      "ligand_instance_id": "PDB:8EIK:LIG:U:ZN:903:.",
      "protein_id": "UP:Q9UBC3",
      "domain_id": "UP:Q9UBC3:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/8EIK",
      "ccd_url": "https://www.rcsb.org/ligand/ZN",
      "coordinate_sha256": "b3fff6d453f5904930be422eada40aa426a93990f169f4aeae23fcaa6f781c0d",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:11OA:LIG:IA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:E",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "11OA",
      "ligand_instance_id": "PDB:11OA:LIG:IA:ZN:1001:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/11OA",
      "ccd_url": "https://www.rcsb.org/ligand/ZN",
      "coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:11NZ:LIG:Y:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:E",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "11NZ",
      "ligand_instance_id": "PDB:11NZ:LIG:Y:ZN:1002:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/11NZ",
      "ccd_url": "https://www.rcsb.org/ligand/ZN",
      "coordinate_sha256": "356d7dbef2150e7da14f3292657b228a2292bb71119da5f141ce901b45aad8e3",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9MPO:LIG:Q:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:E",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "9MPO",
      "ligand_instance_id": "PDB:9MPO:LIG:Q:ZN:1001:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/9MPO",
      "ccd_url": "https://www.rcsb.org/ligand/ZN",
      "coordinate_sha256": "f202338a40a7a38d3849c1f042a66f42373656578fe6d3b0f57a4b58ce016547",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:11OA:LIG:JA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:E",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "11OA",
      "ligand_instance_id": "PDB:11OA:LIG:JA:ZN:1002:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/11OA",
      "ccd_url": "https://www.rcsb.org/ligand/ZN",
      "coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:11NZ:LIG:Z:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:E",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "11NZ",
      "ligand_instance_id": "PDB:11NZ:LIG:Z:ZN:1003:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/11NZ",
      "ccd_url": "https://www.rcsb.org/ligand/ZN",
      "coordinate_sha256": "356d7dbef2150e7da14f3292657b228a2292bb71119da5f141ce901b45aad8e3",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9MPO:LIG:R:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:E",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "9MPO",
      "ligand_instance_id": "PDB:9MPO:LIG:R:ZN:1002:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/9MPO",
      "ccd_url": "https://www.rcsb.org/ligand/ZN",
      "coordinate_sha256": "f202338a40a7a38d3849c1f042a66f42373656578fe6d3b0f57a4b58ce016547",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:11NZ:LIG:AA:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:E",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "11NZ",
      "ligand_instance_id": "PDB:11NZ:LIG:AA:ZN:1004:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/11NZ",
      "ccd_url": "https://www.rcsb.org/ligand/ZN",
      "coordinate_sha256": "356d7dbef2150e7da14f3292657b228a2292bb71119da5f141ce901b45aad8e3",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:11OA:LIG:KA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:E",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "11OA",
      "ligand_instance_id": "PDB:11OA:LIG:KA:ZN:1003:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/11OA",
      "ccd_url": "https://www.rcsb.org/ligand/ZN",
      "coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9MPO:LIG:S:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:E",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "9MPO",
      "ligand_instance_id": "PDB:9MPO:LIG:S:ZN:1003:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/9MPO",
      "ccd_url": "https://www.rcsb.org/ligand/ZN",
      "coordinate_sha256": "f202338a40a7a38d3849c1f042a66f42373656578fe6d3b0f57a4b58ce016547",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:11OA:LIG:NA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:F",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "11OA",
      "ligand_instance_id": "PDB:11OA:LIG:NA:ZN:1002:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/11OA",
      "ccd_url": "https://www.rcsb.org/ligand/ZN",
      "coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:11NZ:LIG:CA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:F",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "11NZ",
      "ligand_instance_id": "PDB:11NZ:LIG:CA:ZN:1002:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/11NZ",
      "ccd_url": "https://www.rcsb.org/ligand/ZN",
      "coordinate_sha256": "356d7dbef2150e7da14f3292657b228a2292bb71119da5f141ce901b45aad8e3",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9MPO:LIG:U:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:F",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "9MPO",
      "ligand_instance_id": "PDB:9MPO:LIG:U:ZN:1001:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/9MPO",
      "ccd_url": "https://www.rcsb.org/ligand/ZN",
      "coordinate_sha256": "f202338a40a7a38d3849c1f042a66f42373656578fe6d3b0f57a4b58ce016547",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9LQ1:LIG:K:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:D",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "9LQ1",
      "ligand_instance_id": "PDB:9LQ1:LIG:K:ZN:1002:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
      "structural_research_ligand": false,
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      "source_url": "https://www.rcsb.org/structure/9LQ1",
      "ccd_url": "https://www.rcsb.org/ligand/ZN",
      "coordinate_sha256": "ff559ef574bf8cfb35dd3505de2691ab2f1530c37785d7eb2d079817963acbf5",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:11OA:LIG:OA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:F",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "11OA",
      "ligand_instance_id": "PDB:11OA:LIG:OA:ZN:1003:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/11OA",
      "ccd_url": "https://www.rcsb.org/ligand/ZN",
      "coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:11NZ:LIG:DA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:F",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "11NZ",
      "ligand_instance_id": "PDB:11NZ:LIG:DA:ZN:1003:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/11NZ",
      "ccd_url": "https://www.rcsb.org/ligand/ZN",
      "coordinate_sha256": "356d7dbef2150e7da14f3292657b228a2292bb71119da5f141ce901b45aad8e3",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9MPO:LIG:V:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:F",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "9MPO",
      "ligand_instance_id": "PDB:9MPO:LIG:V:ZN:1002:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/9MPO",
      "ccd_url": "https://www.rcsb.org/ligand/ZN",
      "coordinate_sha256": "f202338a40a7a38d3849c1f042a66f42373656578fe6d3b0f57a4b58ce016547",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9LQ1:LIG:L:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:D",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "9LQ1",
      "ligand_instance_id": "PDB:9LQ1:LIG:L:ZN:1003:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/9LQ1",
      "ccd_url": "https://www.rcsb.org/ligand/ZN",
      "coordinate_sha256": "ff559ef574bf8cfb35dd3505de2691ab2f1530c37785d7eb2d079817963acbf5",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:11NZ:LIG:EA:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:F",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "11NZ",
      "ligand_instance_id": "PDB:11NZ:LIG:EA:ZN:1004:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/11NZ",
      "ccd_url": "https://www.rcsb.org/ligand/ZN",
      "coordinate_sha256": "356d7dbef2150e7da14f3292657b228a2292bb71119da5f141ce901b45aad8e3",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:11OA:LIG:PA:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:F",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "11OA",
      "ligand_instance_id": "PDB:11OA:LIG:PA:ZN:1004:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/11OA",
      "ccd_url": "https://www.rcsb.org/ligand/ZN",
      "coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9MPO:LIG:W:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:F",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "9MPO",
      "ligand_instance_id": "PDB:9MPO:LIG:W:ZN:1003:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/9MPO",
      "ccd_url": "https://www.rcsb.org/ligand/ZN",
      "coordinate_sha256": "f202338a40a7a38d3849c1f042a66f42373656578fe6d3b0f57a4b58ce016547",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9LQ1:LIG:J:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:D",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "9LQ1",
      "ligand_instance_id": "PDB:9LQ1:LIG:J:ZN:1001:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/9LQ1",
      "ccd_url": "https://www.rcsb.org/ligand/ZN",
      "coordinate_sha256": "ff559ef574bf8cfb35dd3505de2691ab2f1530c37785d7eb2d079817963acbf5",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:11NZ:LIG:FA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:G",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "11NZ",
      "ligand_instance_id": "PDB:11NZ:LIG:FA:ZN:1001:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/11NZ",
      "ccd_url": "https://www.rcsb.org/ligand/ZN",
      "coordinate_sha256": "356d7dbef2150e7da14f3292657b228a2292bb71119da5f141ce901b45aad8e3",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:11OA:LIG:RA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:G",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "11OA",
      "ligand_instance_id": "PDB:11OA:LIG:RA:ZN:1002:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/11OA",
      "ccd_url": "https://www.rcsb.org/ligand/ZN",
      "coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:11NZ:LIG:GA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:G",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "11NZ",
      "ligand_instance_id": "PDB:11NZ:LIG:GA:ZN:1002:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/11NZ",
      "ccd_url": "https://www.rcsb.org/ligand/ZN",
      "coordinate_sha256": "356d7dbef2150e7da14f3292657b228a2292bb71119da5f141ce901b45aad8e3",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:11OA:LIG:SA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:G",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "11OA",
      "ligand_instance_id": "PDB:11OA:LIG:SA:ZN:1003:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/11OA",
      "ccd_url": "https://www.rcsb.org/ligand/ZN",
      "coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:11OA:LIG:TA:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:G",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "11OA",
      "ligand_instance_id": "PDB:11OA:LIG:TA:ZN:1004:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/11OA",
      "ccd_url": "https://www.rcsb.org/ligand/ZN",
      "coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:11NZ:LIG:HA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:G",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "11NZ",
      "ligand_instance_id": "PDB:11NZ:LIG:HA:ZN:1003:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/11NZ",
      "ccd_url": "https://www.rcsb.org/ligand/ZN",
      "coordinate_sha256": "356d7dbef2150e7da14f3292657b228a2292bb71119da5f141ce901b45aad8e3",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:11NZ:LIG:KA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:H",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "11NZ",
      "ligand_instance_id": "PDB:11NZ:LIG:KA:ZN:1002:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/11NZ",
      "ccd_url": "https://www.rcsb.org/ligand/ZN",
      "coordinate_sha256": "356d7dbef2150e7da14f3292657b228a2292bb71119da5f141ce901b45aad8e3",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:11OA:LIG:UA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:H",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "11OA",
      "ligand_instance_id": "PDB:11OA:LIG:UA:ZN:1001:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/11OA",
      "ccd_url": "https://www.rcsb.org/ligand/ZN",
      "coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:11NZ:LIG:LA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:H",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "11NZ",
      "ligand_instance_id": "PDB:11NZ:LIG:LA:ZN:1003:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/11NZ",
      "ccd_url": "https://www.rcsb.org/ligand/ZN",
      "coordinate_sha256": "356d7dbef2150e7da14f3292657b228a2292bb71119da5f141ce901b45aad8e3",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:11OA:LIG:VA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:H",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "11OA",
      "ligand_instance_id": "PDB:11OA:LIG:VA:ZN:1002:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/11OA",
      "ccd_url": "https://www.rcsb.org/ligand/ZN",
      "coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:11NZ:LIG:MA:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:H",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "11NZ",
      "ligand_instance_id": "PDB:11NZ:LIG:MA:ZN:1004:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/11NZ",
      "ccd_url": "https://www.rcsb.org/ligand/ZN",
      "coordinate_sha256": "356d7dbef2150e7da14f3292657b228a2292bb71119da5f141ce901b45aad8e3",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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    },
    {
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    },
    {
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    },
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    },
    {
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    },
    {
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      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:11NZ:LIG:QA:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:I",
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      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
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      "ligand_instance_id": "PDB:11NZ:LIG:QA:ZN:1004:.",
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      "ccd_url": "https://www.rcsb.org/ligand/ZN",
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:11OA:LIG:BB:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:I",
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      "ligand_instance_id": "PDB:11OA:LIG:BB:ZN:1004:.",
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      "source_role": "ion/cofactor_requires_context",
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      "ccd_url": "https://www.rcsb.org/ligand/ZN",
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      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:11OA:LIG:CB:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:J",
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      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
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      "ligand_instance_id": "PDB:11OA:LIG:CB:ZN:1001:.",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:11OA:LIG:DB:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:J",
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      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
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      "ligand_instance_id": "PDB:11OA:LIG:DB:ZN:1002:.",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:11OA:LIG:EB:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:J",
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      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9E2D:LIG:TA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:X",
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    },
    {
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      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
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    },
    {
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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    },
    {
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      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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    {
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    {
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    },
    {
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    },
    {
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    },
    {
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    },
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    },
    {
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    },
    {
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    },
    {
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    },
    {
      "site_id": "PDB:9E2D:LIG:UA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:X",
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    },
    {
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    },
    {
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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    },
    {
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    },
    {
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    },
    {
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    },
    {
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    },
    {
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    },
    {
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    {
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    },
    {
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    },
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    },
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    },
    {
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    },
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    },
    {
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    },
    {
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    },
    {
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    },
    {
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    },
    {
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    {
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    {
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      "contact_class": "noncore_contact_in_multidomain_chain",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/9E00",
      "ccd_url": "https://www.rcsb.org/ligand/ZN",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9MP0:LIG:K:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:A",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "9MP0",
      "ligand_instance_id": "PDB:9MP0:LIG:K:ZN:1001:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
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      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/9MP0",
      "ccd_url": "https://www.rcsb.org/ligand/ZN",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9Q7U:LIG:V:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:N",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "9Q7U",
      "ligand_instance_id": "PDB:9Q7U:LIG:V:ZN:1001:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
      "structural_research_ligand": false,
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      "source_url": "https://www.rcsb.org/structure/9Q7U",
      "ccd_url": "https://www.rcsb.org/ligand/ZN",
      "coordinate_sha256": "e8f7de9a7c7e8109006bbd9c0469dcb24477a0e1094314ce07d9f1383e4feebc",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9MP0:LIG:L:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:A",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "9MP0",
      "ligand_instance_id": "PDB:9MP0:LIG:L:ZN:1002:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/9MP0",
      "ccd_url": "https://www.rcsb.org/ligand/ZN",
      "coordinate_sha256": "bdd61f49181bc06c097b520c53fcb026f13b3cd9ecd0edf642fd5178aa8998ac",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9Q7U:LIG:W:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:N",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "9Q7U",
      "ligand_instance_id": "PDB:9Q7U:LIG:W:ZN:1002:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/9Q7U",
      "ccd_url": "https://www.rcsb.org/ligand/ZN",
      "coordinate_sha256": "e8f7de9a7c7e8109006bbd9c0469dcb24477a0e1094314ce07d9f1383e4feebc",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9MP0:LIG:M:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:A",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "9MP0",
      "ligand_instance_id": "PDB:9MP0:LIG:M:ZN:1003:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
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      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/9MP0",
      "ccd_url": "https://www.rcsb.org/ligand/ZN",
      "coordinate_sha256": "bdd61f49181bc06c097b520c53fcb026f13b3cd9ecd0edf642fd5178aa8998ac",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9Q7U:LIG:X:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:N",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "9Q7U",
      "ligand_instance_id": "PDB:9Q7U:LIG:X:ZN:1003:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
      "role_group": "context_unresolved",
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      "contact_class": "noncore_contact_in_multidomain_chain",
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      "source_url": "https://www.rcsb.org/structure/9Q7U",
      "ccd_url": "https://www.rcsb.org/ligand/ZN",
      "coordinate_sha256": "e8f7de9a7c7e8109006bbd9c0469dcb24477a0e1094314ce07d9f1383e4feebc",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:11OA:LIG:HB:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:M",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "11OA",
      "ligand_instance_id": "PDB:11OA:LIG:HB:ZN:1001:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
      "role_group": "context_unresolved",
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      "source_url": "https://www.rcsb.org/structure/11OA",
      "ccd_url": "https://www.rcsb.org/ligand/ZN",
      "coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9MP0:LIG:O:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:B",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "9MP0",
      "ligand_instance_id": "PDB:9MP0:LIG:O:ZN:1001:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/9MP0",
      "ccd_url": "https://www.rcsb.org/ligand/ZN",
      "coordinate_sha256": "bdd61f49181bc06c097b520c53fcb026f13b3cd9ecd0edf642fd5178aa8998ac",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9MPP:LIG:O:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:K",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "9MPP",
      "ligand_instance_id": "PDB:9MPP:LIG:O:ZN:1001:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
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      "source_url": "https://www.rcsb.org/structure/9MPP",
      "ccd_url": "https://www.rcsb.org/ligand/ZN",
      "coordinate_sha256": "04eda55f070595fabeb1e0a3af9f67889aa059346f1aed2112cbcd101e6bbc07",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:11OA:LIG:IB:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:M",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "11OA",
      "ligand_instance_id": "PDB:11OA:LIG:IB:ZN:1002:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
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      "source_url": "https://www.rcsb.org/structure/11OA",
      "ccd_url": "https://www.rcsb.org/ligand/ZN",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9MP0:LIG:P:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:B",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "9MP0",
      "ligand_instance_id": "PDB:9MP0:LIG:P:ZN:1002:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
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      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/9MP0",
      "ccd_url": "https://www.rcsb.org/ligand/ZN",
      "coordinate_sha256": "bdd61f49181bc06c097b520c53fcb026f13b3cd9ecd0edf642fd5178aa8998ac",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9MPP:LIG:P:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:K",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "9MPP",
      "ligand_instance_id": "PDB:9MPP:LIG:P:ZN:1002:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
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      "source_url": "https://www.rcsb.org/structure/9MPP",
      "ccd_url": "https://www.rcsb.org/ligand/ZN",
      "coordinate_sha256": "04eda55f070595fabeb1e0a3af9f67889aa059346f1aed2112cbcd101e6bbc07",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:11OA:LIG:JB:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:M",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "11OA",
      "ligand_instance_id": "PDB:11OA:LIG:JB:ZN:1003:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
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      "source_url": "https://www.rcsb.org/structure/11OA",
      "ccd_url": "https://www.rcsb.org/ligand/ZN",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9MP0:LIG:Q:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:B",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
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      "ligand_instance_id": "PDB:9MP0:LIG:Q:ZN:1003:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
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      "source_url": "https://www.rcsb.org/structure/9MP0",
      "ccd_url": "https://www.rcsb.org/ligand/ZN",
      "coordinate_sha256": "bdd61f49181bc06c097b520c53fcb026f13b3cd9ecd0edf642fd5178aa8998ac",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9MPP:LIG:Q:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:K",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
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      "ligand_instance_id": "PDB:9MPP:LIG:Q:ZN:1003:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
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      "source_url": "https://www.rcsb.org/structure/9MPP",
      "ccd_url": "https://www.rcsb.org/ligand/ZN",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:11OA:LIG:MB:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:N",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
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      "ligand_instance_id": "PDB:11OA:LIG:MB:ZN:1002:.",
      "protein_id": "UP:Q9Y6K1",
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      "source_role": "ion/cofactor_requires_context",
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      "ccd_url": "https://www.rcsb.org/ligand/ZN",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9MP0:LIG:S:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:C",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "9MP0",
      "ligand_instance_id": "PDB:9MP0:LIG:S:ZN:1001:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/9MP0",
      "ccd_url": "https://www.rcsb.org/ligand/ZN",
      "coordinate_sha256": "bdd61f49181bc06c097b520c53fcb026f13b3cd9ecd0edf642fd5178aa8998ac",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:11OA:LIG:NB:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:N",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "11OA",
      "ligand_instance_id": "PDB:11OA:LIG:NB:ZN:1003:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/11OA",
      "ccd_url": "https://www.rcsb.org/ligand/ZN",
      "coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9MP0:LIG:T:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:C",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "9MP0",
      "ligand_instance_id": "PDB:9MP0:LIG:T:ZN:1002:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/9MP0",
      "ccd_url": "https://www.rcsb.org/ligand/ZN",
      "coordinate_sha256": "bdd61f49181bc06c097b520c53fcb026f13b3cd9ecd0edf642fd5178aa8998ac",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:11OA:LIG:OB:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:N",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "11OA",
      "ligand_instance_id": "PDB:11OA:LIG:OB:ZN:1004:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/11OA",
      "ccd_url": "https://www.rcsb.org/ligand/ZN",
      "coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9MP0:LIG:U:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:C",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "9MP0",
      "ligand_instance_id": "PDB:9MP0:LIG:U:ZN:1003:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/9MP0",
      "ccd_url": "https://www.rcsb.org/ligand/ZN",
      "coordinate_sha256": "bdd61f49181bc06c097b520c53fcb026f13b3cd9ecd0edf642fd5178aa8998ac",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:11OA:LIG:QB:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:O",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "11OA",
      "ligand_instance_id": "PDB:11OA:LIG:QB:ZN:1002:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/11OA",
      "ccd_url": "https://www.rcsb.org/ligand/ZN",
      "coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9MP0:LIG:W:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:D",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "9MP0",
      "ligand_instance_id": "PDB:9MP0:LIG:W:ZN:1001:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/9MP0",
      "ccd_url": "https://www.rcsb.org/ligand/ZN",
      "coordinate_sha256": "bdd61f49181bc06c097b520c53fcb026f13b3cd9ecd0edf642fd5178aa8998ac",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:11OA:LIG:RB:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:O",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "11OA",
      "ligand_instance_id": "PDB:11OA:LIG:RB:ZN:1003:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/11OA",
      "ccd_url": "https://www.rcsb.org/ligand/ZN",
      "coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9MP0:LIG:X:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:D",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "9MP0",
      "ligand_instance_id": "PDB:9MP0:LIG:X:ZN:1002:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/9MP0",
      "ccd_url": "https://www.rcsb.org/ligand/ZN",
      "coordinate_sha256": "bdd61f49181bc06c097b520c53fcb026f13b3cd9ecd0edf642fd5178aa8998ac",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:11OA:LIG:SB:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:O",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "11OA",
      "ligand_instance_id": "PDB:11OA:LIG:SB:ZN:1004:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/11OA",
      "ccd_url": "https://www.rcsb.org/ligand/ZN",
      "coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9MP0:LIG:Y:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:D",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "9MP0",
      "ligand_instance_id": "PDB:9MP0:LIG:Y:ZN:1003:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
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      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/9MP0",
      "ccd_url": "https://www.rcsb.org/ligand/ZN",
      "coordinate_sha256": "bdd61f49181bc06c097b520c53fcb026f13b3cd9ecd0edf642fd5178aa8998ac",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:11OA:LIG:TB:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:P",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "11OA",
      "ligand_instance_id": "PDB:11OA:LIG:TB:ZN:1001:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
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      "contact_class": "noncore_contact_in_multidomain_chain",
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      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/11OA",
      "ccd_url": "https://www.rcsb.org/ligand/ZN",
      "coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:11OA:LIG:UB:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:P",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "11OA",
      "ligand_instance_id": "PDB:11OA:LIG:UB:ZN:1002:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
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      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/11OA",
      "ccd_url": "https://www.rcsb.org/ligand/ZN",
      "coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:11OA:LIG:VB:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:P",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "11OA",
      "ligand_instance_id": "PDB:11OA:LIG:VB:ZN:1003:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
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      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/11OA",
      "ccd_url": "https://www.rcsb.org/ligand/ZN",
      "coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9MP0:LIG:AA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:E",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "9MP0",
      "ligand_instance_id": "PDB:9MP0:LIG:AA:ZN:1001:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
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      "source_url": "https://www.rcsb.org/structure/9MP0",
      "ccd_url": "https://www.rcsb.org/ligand/ZN",
      "coordinate_sha256": "bdd61f49181bc06c097b520c53fcb026f13b3cd9ecd0edf642fd5178aa8998ac",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9MP0:LIG:BA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:E",
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      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "9MP0",
      "ligand_instance_id": "PDB:9MP0:LIG:BA:ZN:1002:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
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      "source_url": "https://www.rcsb.org/structure/9MP0",
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      "coordinate_sha256": "bdd61f49181bc06c097b520c53fcb026f13b3cd9ecd0edf642fd5178aa8998ac",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9MP0:LIG:CA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:E",
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      "ligand_instance_id": "PDB:9MP0:LIG:CA:ZN:1003:.",
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      "source_role": "ion/cofactor_requires_context",
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      "source_url": "https://www.rcsb.org/structure/9MP0",
      "ccd_url": "https://www.rcsb.org/ligand/ZN",
      "coordinate_sha256": "bdd61f49181bc06c097b520c53fcb026f13b3cd9ecd0edf642fd5178aa8998ac",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9MP0:LIG:FA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:F",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "9MP0",
      "ligand_instance_id": "PDB:9MP0:LIG:FA:ZN:1002:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/9MP0",
      "ccd_url": "https://www.rcsb.org/ligand/ZN",
      "coordinate_sha256": "bdd61f49181bc06c097b520c53fcb026f13b3cd9ecd0edf642fd5178aa8998ac",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9MP0:LIG:EA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:F",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "9MP0",
      "ligand_instance_id": "PDB:9MP0:LIG:EA:ZN:1001:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/9MP0",
      "ccd_url": "https://www.rcsb.org/ligand/ZN",
      "coordinate_sha256": "bdd61f49181bc06c097b520c53fcb026f13b3cd9ecd0edf642fd5178aa8998ac",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9MP0:LIG:GA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:F",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "9MP0",
      "ligand_instance_id": "PDB:9MP0:LIG:GA:ZN:1003:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/9MP0",
      "ccd_url": "https://www.rcsb.org/ligand/ZN",
      "coordinate_sha256": "bdd61f49181bc06c097b520c53fcb026f13b3cd9ecd0edf642fd5178aa8998ac",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9MP0:LIG:IA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:G",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "9MP0",
      "ligand_instance_id": "PDB:9MP0:LIG:IA:ZN:1001:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/9MP0",
      "ccd_url": "https://www.rcsb.org/ligand/ZN",
      "coordinate_sha256": "bdd61f49181bc06c097b520c53fcb026f13b3cd9ecd0edf642fd5178aa8998ac",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9MP0:LIG:JA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:G",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "9MP0",
      "ligand_instance_id": "PDB:9MP0:LIG:JA:ZN:1002:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/9MP0",
      "ccd_url": "https://www.rcsb.org/ligand/ZN",
      "coordinate_sha256": "bdd61f49181bc06c097b520c53fcb026f13b3cd9ecd0edf642fd5178aa8998ac",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9MP0:LIG:KA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:G",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "9MP0",
      "ligand_instance_id": "PDB:9MP0:LIG:KA:ZN:1003:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/9MP0",
      "ccd_url": "https://www.rcsb.org/ligand/ZN",
      "coordinate_sha256": "bdd61f49181bc06c097b520c53fcb026f13b3cd9ecd0edf642fd5178aa8998ac",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9E0F:LIG:H:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:C",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "9E0F",
      "ligand_instance_id": "PDB:9E0F:LIG:H:ZN:1001:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/9E0F",
      "ccd_url": "https://www.rcsb.org/ligand/ZN",
      "coordinate_sha256": "c51c139482765431ba619dab6da2645f54f56cb4408ea46bb5bb40b5dd78d3be",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9MP0:LIG:MA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:H",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "9MP0",
      "ligand_instance_id": "PDB:9MP0:LIG:MA:ZN:1001:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/9MP0",
      "ccd_url": "https://www.rcsb.org/ligand/ZN",
      "coordinate_sha256": "bdd61f49181bc06c097b520c53fcb026f13b3cd9ecd0edf642fd5178aa8998ac",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9E3U:LIG:S:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:N",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "9E3U",
      "ligand_instance_id": "PDB:9E3U:LIG:S:ZN:1001:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/9E3U",
      "ccd_url": "https://www.rcsb.org/ligand/ZN",
      "coordinate_sha256": "75ed1a514fc1477e26591b82cf0dea6f4002dc535885aee1a2631cb52f9acead",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9E2D:LIG:DA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:S",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "9E2D",
      "ligand_instance_id": "PDB:9E2D:LIG:DA:ZN:1001:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
      "structural_research_ligand": false,
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      "source_url": "https://www.rcsb.org/structure/9E2D",
      "ccd_url": "https://www.rcsb.org/ligand/ZN",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9E05:LIG:DA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:U",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "9E05",
      "ligand_instance_id": "PDB:9E05:LIG:DA:ZN:1001:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
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      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
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      "ccd_url": "https://www.rcsb.org/ligand/ZN",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9E2R:LIG:DA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:U",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "9E2R",
      "ligand_instance_id": "PDB:9E2R:LIG:DA:ZN:1001:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
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      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
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      "ccd_url": "https://www.rcsb.org/ligand/ZN",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9E3D:LIG:Z:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:U",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
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      "ligand_instance_id": "PDB:9E3D:LIG:Z:ZN:1001:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9E3R:LIG:DA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:U",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "9E3R",
      "ligand_instance_id": "PDB:9E3R:LIG:DA:ZN:1001:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9E2Q:LIG:DA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:U",
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      "pdb_id": "9E2Q",
      "ligand_instance_id": "PDB:9E2Q:LIG:DA:ZN:1001:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
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      "ccd_url": "https://www.rcsb.org/ligand/ZN",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9E0F:LIG:I:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:C",
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      "ligand_instance_id": "PDB:9E0F:LIG:I:ZN:1002:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9MP0:LIG:NA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:H",
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      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "9MP0",
      "ligand_instance_id": "PDB:9MP0:LIG:NA:ZN:1002:.",
      "protein_id": "UP:Q9Y6K1",
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      "source_role": "ion/cofactor_requires_context",
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      "contact_class": "noncore_contact_in_multidomain_chain",
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      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/9MP0",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9E3U:LIG:T:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:N",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "9E3U",
      "ligand_instance_id": "PDB:9E3U:LIG:T:ZN:1002:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9E2D:LIG:EA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:S",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
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      "pdb_id": "9E2D",
      "ligand_instance_id": "PDB:9E2D:LIG:EA:ZN:1002:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9E3D:LIG:AA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:U",
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      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "9E3D",
      "ligand_instance_id": "PDB:9E3D:LIG:AA:ZN:1002:.",
      "protein_id": "UP:Q9Y6K1",
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      "source_role": "ion/cofactor_requires_context",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9E2R:LIG:EA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:U",
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      "pdb_id": "9E2R",
      "ligand_instance_id": "PDB:9E2R:LIG:EA:ZN:1002:.",
      "protein_id": "UP:Q9Y6K1",
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      "source_role": "ion/cofactor_requires_context",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9E3R:LIG:EA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:U",
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      "ligand_instance_id": "PDB:9E3R:LIG:EA:ZN:1002:.",
      "protein_id": "UP:Q9Y6K1",
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      "source_role": "ion/cofactor_requires_context",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9E2Q:LIG:EA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:U",
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      "ligand_instance_id": "PDB:9E2Q:LIG:EA:ZN:1002:.",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9E05:LIG:EA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:U",
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      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9E0F:LIG:J:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:C",
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      "ligand_instance_id": "PDB:9E0F:LIG:J:ZN:1003:.",
      "protein_id": "UP:Q9Y6K1",
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      "source_role": "ion/cofactor_requires_context",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9MP0:LIG:OA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:H",
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      "ligand_instance_id": "PDB:9MP0:LIG:OA:ZN:1003:.",
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      "source_role": "ion/cofactor_requires_context",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9E3U:LIG:U:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:N",
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      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9E2D:LIG:FA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:S",
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      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9E3D:LIG:BA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:U",
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    },
    {
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "verification_status": "phase5_derived_deposited_geometry",
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    },
    {
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    },
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    },
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    },
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    },
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    },
    {
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    },
    {
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    },
    {
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    },
    {
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    },
    {
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    },
    {
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    },
    {
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    },
    {
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    {
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    },
    {
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    {
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      "source_role": "ion/cofactor_requires_context",
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      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9E2Q:LIG:BA:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:S",
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      "protein_id": "UP:Q9UBC3",
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      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9E05:LIG:BA:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:S",
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      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9E00:LIG:BA:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:S",
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      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
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    },
    {
      "site_id": "PDB:9Q7U:LIG:Q:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:K",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9E0F:LIG:G:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:A",
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      "protein_id": "UP:Q9UBC3",
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      "source_role": "ion/cofactor_requires_context",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9E3U:LIG:R:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:L",
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      "protein_id": "UP:Q9UBC3",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9E2D:LIG:CA:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:Q",
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      "ligand_instance_id": "PDB:9E2D:LIG:CA:ZN:1003:.",
      "protein_id": "UP:Q9UBC3",
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      "source_role": "ion/cofactor_requires_context",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9E3R:LIG:CA:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:S",
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      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
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      "ligand_instance_id": "PDB:9E3R:LIG:CA:ZN:1003:.",
      "protein_id": "UP:Q9UBC3",
      "domain_id": "UP:Q9UBC3:PWWP1",
      "source_role": "ion/cofactor_requires_context",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9E3D:LIG:Y:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:S",
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      "ligand_instance_id": "PDB:9E3D:LIG:Y:ZN:1003:.",
      "protein_id": "UP:Q9UBC3",
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      "source_role": "ion/cofactor_requires_context",
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      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9E2R:LIG:CA:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:S",
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      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9E2Q:LIG:CA:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:S",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9E05:LIG:CA:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:S",
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9E00:LIG:CA:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:S",
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      "source_role": "ion/cofactor_requires_context",
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      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
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    },
    {
      "site_id": "PDB:9E0G:LIG:H:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:C",
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      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
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    },
    {
      "site_id": "PDB:9E2D:LIG:OA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:W",
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      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9E05:LIG:OA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:Y",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
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    },
    {
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      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
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    },
    {
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    },
    {
      "site_id": "PDB:9E2Q:LIG:OA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:Y",
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      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
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    },
    {
      "site_id": "PDB:9E0G:LIG:I:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:C",
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      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
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    },
    {
      "site_id": "PDB:9E2D:LIG:PA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:W",
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    },
    {
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9E2R:LIG:PA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:Y",
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      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9E2Q:LIG:PA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:Y",
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      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9E3R:LIG:PA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:Y",
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9E0G:LIG:J:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:C",
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    },
    {
      "site_id": "PDB:9E2D:LIG:QA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:W",
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    },
    {
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    {
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    },
    {
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    {
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    {
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      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9E2D:LIG:HA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:T",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "9E2D",
      "ligand_instance_id": "PDB:9E2D:LIG:HA:ZN:1001:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
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      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9E3R:LIG:IA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:V",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "9E3R",
      "ligand_instance_id": "PDB:9E3R:LIG:IA:ZN:1002:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
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      "ccd_url": "https://www.rcsb.org/ligand/ZN",
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      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9E3D:LIG:DA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:V",
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      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
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      "ligand_instance_id": "PDB:9E3D:LIG:DA:ZN:1001:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
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      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9E2R:LIG:HA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:V",
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      "pdb_id": "9E2R",
      "ligand_instance_id": "PDB:9E2R:LIG:HA:ZN:1001:.",
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      "source_role": "ion/cofactor_requires_context",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9E2Q:LIG:HA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:V",
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      "ligand_instance_id": "PDB:9E2Q:LIG:HA:ZN:1001:.",
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      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9E05:LIG:HA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:V",
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9E00:LIG:EA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:V",
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      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9E0F:LIG:M:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:D",
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      "ligand_instance_id": "PDB:9E0F:LIG:M:ZN:1002:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9E3U:LIG:X:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:O",
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      "source_role": "ion/cofactor_requires_context",
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      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9E2D:LIG:IA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:T",
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      "ligand_instance_id": "PDB:9E2D:LIG:IA:ZN:1002:.",
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      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9E3R:LIG:JA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:V",
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      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9E2R:LIG:IA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:V",
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9E3D:LIG:EA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:V",
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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    },
    {
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    },
    {
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    {
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      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "9E0F",
      "ligand_instance_id": "PDB:9E0F:LIG:N:ZN:1003:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
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      "contact_class": "noncore_contact_in_multidomain_chain",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/9E0F",
      "ccd_url": "https://www.rcsb.org/ligand/ZN",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9E3U:LIG:Y:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:O",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
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      "ligand_instance_id": "PDB:9E3U:LIG:Y:ZN:1003:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
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      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
      "structural_research_ligand": false,
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      "source_url": "https://www.rcsb.org/structure/9E3U",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9E2D:LIG:JA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:T",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "9E2D",
      "ligand_instance_id": "PDB:9E2D:LIG:JA:ZN:1003:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
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      "contact_class": "noncore_contact_in_multidomain_chain",
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      "ccd_url": "https://www.rcsb.org/ligand/ZN",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9E3R:LIG:KA:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:V",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "9E3R",
      "ligand_instance_id": "PDB:9E3R:LIG:KA:ZN:1004:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
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      "contact_class": "noncore_contact_in_multidomain_chain",
      "structural_research_ligand": false,
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      "source_url": "https://www.rcsb.org/structure/9E3R",
      "ccd_url": "https://www.rcsb.org/ligand/ZN",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9E3D:LIG:FA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:V",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "9E3D",
      "ligand_instance_id": "PDB:9E3D:LIG:FA:ZN:1003:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
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      "contact_class": "noncore_contact_in_multidomain_chain",
      "structural_research_ligand": false,
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      "ccd_url": "https://www.rcsb.org/ligand/ZN",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9E2R:LIG:JA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:V",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "9E2R",
      "ligand_instance_id": "PDB:9E2R:LIG:JA:ZN:1003:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9E2Q:LIG:JA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:V",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "9E2Q",
      "ligand_instance_id": "PDB:9E2Q:LIG:JA:ZN:1003:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
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      "ccd_url": "https://www.rcsb.org/ligand/ZN",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9E05:LIG:JA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:V",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
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      "ligand_instance_id": "PDB:9E05:LIG:JA:ZN:1003:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9E00:LIG:GA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:V",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
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      "ligand_instance_id": "PDB:9E00:LIG:GA:ZN:1003:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
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      "exact_pwwp_contact": false,
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9Y4P:LIG:DA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:U",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "9Y4P",
      "ligand_instance_id": "PDB:9Y4P:LIG:DA:ZN:1001:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9Y4P:LIG:EA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:U",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
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      "ligand_instance_id": "PDB:9Y4P:LIG:EA:ZN:1002:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9Y4P:LIG:FA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:U",
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      "ligand_instance_id": "PDB:9Y4P:LIG:FA:ZN:1003:.",
      "protein_id": "UP:Q9Y6K1",
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      "source_role": "ion/cofactor_requires_context",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9Y4P:LIG:AA:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:S",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
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      "ligand_instance_id": "PDB:9Y4P:LIG:AA:ZN:1001:.",
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      "domain_id": "UP:Q9UBC3:PWWP1",
      "source_role": "ion/cofactor_requires_context",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9Y4P:LIG:BA:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:S",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9Y4P:LIG:CA:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:S",
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      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
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      "ligand_instance_id": "PDB:9Y4P:LIG:CA:ZN:1003:.",
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      "source_role": "ion/cofactor_requires_context",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9Y4P:LIG:HA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:V",
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      "ligand_instance_id": "PDB:9Y4P:LIG:HA:ZN:1001:.",
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      "source_role": "ion/cofactor_requires_context",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9Y4P:LIG:IA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:V",
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      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/9Y4P",
      "ccd_url": "https://www.rcsb.org/ligand/ZN",
      "coordinate_sha256": "533eed738f27d838756d10676bb071c61e52b60f6413fe2e036501b162854d9e",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9Y4P:LIG:JA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:V",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "9Y4P",
      "ligand_instance_id": "PDB:9Y4P:LIG:JA:ZN:1003:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/9Y4P",
      "ccd_url": "https://www.rcsb.org/ligand/ZN",
      "coordinate_sha256": "533eed738f27d838756d10676bb071c61e52b60f6413fe2e036501b162854d9e",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9Y4P:LIG:SA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:Z",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "9Y4P",
      "ligand_instance_id": "PDB:9Y4P:LIG:SA:ZN:1001:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/9Y4P",
      "ccd_url": "https://www.rcsb.org/ligand/ZN",
      "coordinate_sha256": "533eed738f27d838756d10676bb071c61e52b60f6413fe2e036501b162854d9e",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9Y4P:LIG:TA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:Z",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "9Y4P",
      "ligand_instance_id": "PDB:9Y4P:LIG:TA:ZN:1002:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/9Y4P",
      "ccd_url": "https://www.rcsb.org/ligand/ZN",
      "coordinate_sha256": "533eed738f27d838756d10676bb071c61e52b60f6413fe2e036501b162854d9e",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9Y4P:LIG:UA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:Z",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "9Y4P",
      "ligand_instance_id": "PDB:9Y4P:LIG:UA:ZN:1003:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/9Y4P",
      "ccd_url": "https://www.rcsb.org/ligand/ZN",
      "coordinate_sha256": "533eed738f27d838756d10676bb071c61e52b60f6413fe2e036501b162854d9e",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9Y4P:LIG:LA:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:W",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "9Y4P",
      "ligand_instance_id": "PDB:9Y4P:LIG:LA:ZN:1001:.",
      "protein_id": "UP:Q9UBC3",
      "domain_id": "UP:Q9UBC3:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/9Y4P",
      "ccd_url": "https://www.rcsb.org/ligand/ZN",
      "coordinate_sha256": "533eed738f27d838756d10676bb071c61e52b60f6413fe2e036501b162854d9e",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9Y4P:LIG:MA:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:W",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "9Y4P",
      "ligand_instance_id": "PDB:9Y4P:LIG:MA:ZN:1002:.",
      "protein_id": "UP:Q9UBC3",
      "domain_id": "UP:Q9UBC3:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/9Y4P",
      "ccd_url": "https://www.rcsb.org/ligand/ZN",
      "coordinate_sha256": "533eed738f27d838756d10676bb071c61e52b60f6413fe2e036501b162854d9e",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9Y4P:LIG:NA:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:W",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "9Y4P",
      "ligand_instance_id": "PDB:9Y4P:LIG:NA:ZN:1003:.",
      "protein_id": "UP:Q9UBC3",
      "domain_id": "UP:Q9UBC3:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/9Y4P",
      "ccd_url": "https://www.rcsb.org/ligand/ZN",
      "coordinate_sha256": "533eed738f27d838756d10676bb071c61e52b60f6413fe2e036501b162854d9e",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9Y4P:LIG:OA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:Y",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "9Y4P",
      "ligand_instance_id": "PDB:9Y4P:LIG:OA:ZN:1001:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/9Y4P",
      "ccd_url": "https://www.rcsb.org/ligand/ZN",
      "coordinate_sha256": "533eed738f27d838756d10676bb071c61e52b60f6413fe2e036501b162854d9e",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9Y4P:LIG:PA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:Y",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "9Y4P",
      "ligand_instance_id": "PDB:9Y4P:LIG:PA:ZN:1002:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/9Y4P",
      "ccd_url": "https://www.rcsb.org/ligand/ZN",
      "coordinate_sha256": "533eed738f27d838756d10676bb071c61e52b60f6413fe2e036501b162854d9e",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9Y4P:LIG:QA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:Y",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "9Y4P",
      "ligand_instance_id": "PDB:9Y4P:LIG:QA:ZN:1003:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "noncore_contact_in_multidomain_chain",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/9Y4P",
      "ccd_url": "https://www.rcsb.org/ligand/ZN",
      "coordinate_sha256": "533eed738f27d838756d10676bb071c61e52b60f6413fe2e036501b162854d9e",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:4RXJ:LIG:G:UNX:1106:.:SITE:UP:Q9BZ95:PWWP2:A",
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      "compound_id": "CCD_UNRESOLVED:UNX",
      "pdb_id": "4RXJ",
      "ligand_instance_id": "PDB:4RXJ:LIG:G:UNX:1106:.",
      "protein_id": "UP:Q9BZ95",
      "domain_id": "UP:Q9BZ95:PWWP2",
      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/4RXJ",
      "ccd_url": "https://www.rcsb.org/ligand/UNX",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:4Z02:LIG:G:UNX:1105:.:SITE:UP:O95696:PWWP1:A",
      "chemical_id": "CCD_UNRESOLVED:UNX",
      "compound_id": "CCD_UNRESOLVED:UNX",
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      "ligand_instance_id": "PDB:4Z02:LIG:G:UNX:1105:.",
      "protein_id": "UP:O95696",
      "domain_id": "UP:O95696:PWWP1",
      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "broader_Pfam_PWWP_contact",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/4Z02",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:4Z02:LIG:K:UNX:1109:.:SITE:UP:O95696:PWWP1:A",
      "chemical_id": "CCD_UNRESOLVED:UNX",
      "compound_id": "CCD_UNRESOLVED:UNX",
      "pdb_id": "4Z02",
      "ligand_instance_id": "PDB:4Z02:LIG:K:UNX:1109:.",
      "protein_id": "UP:O95696",
      "domain_id": "UP:O95696:PWWP1",
      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "broader_Pfam_PWWP_contact",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/4Z02",
      "ccd_url": "https://www.rcsb.org/ligand/UNX",
      "coordinate_sha256": "4845453d35b02dbb549d6634f82d209e4ec7a4b1c71ec02c869eea9e8bf3c2b9",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:4RXJ:LIG:E:UNX:1104:.:SITE:UP:Q9BZ95:PWWP2:A",
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      "ligand_instance_id": "PDB:4RXJ:LIG:E:UNX:1104:.",
      "protein_id": "UP:Q9BZ95",
      "domain_id": "UP:Q9BZ95:PWWP2",
      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "broader_Pfam_PWWP_contact",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/4RXJ",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:3PFS:LIG:C:ZN:1200:.:SITE:UP:Q9ULD4:PWWP1:A",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "3PFS",
      "ligand_instance_id": "PDB:3PFS:LIG:C:ZN:1200:.",
      "protein_id": "UP:Q9ULD4",
      "domain_id": "UP:Q9ULD4:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/3PFS",
      "ccd_url": "https://www.rcsb.org/ligand/ZN",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5C6S:LIG:C:CL:1302:.:SITE:UP:P55201:PWWP1:A",
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      "compound_id": "INCHIKEY:VEXZGXHMUGYJMC-UHFFFAOYSA-M",
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      "ligand_instance_id": "PDB:5C6S:LIG:C:CL:1302:.",
      "protein_id": "UP:P55201",
      "domain_id": "UP:P55201:PWWP1",
      "source_role": "ion",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/5C6S",
      "ccd_url": "https://www.rcsb.org/ligand/CL",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5C6S:LIG:L:UNX:1311:.:SITE:UP:P55201:PWWP1:A",
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      "compound_id": "CCD_UNRESOLVED:UNX",
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      "ligand_instance_id": "PDB:5C6S:LIG:L:UNX:1311:.",
      "protein_id": "UP:P55201",
      "domain_id": "UP:P55201:PWWP1",
      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
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      "source_url": "https://www.rcsb.org/structure/5C6S",
      "ccd_url": "https://www.rcsb.org/ligand/UNX",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5C6S:LIG:H:UNX:1307:.:SITE:UP:P55201:PWWP1:A",
      "chemical_id": "CCD_UNRESOLVED:UNX",
      "compound_id": "CCD_UNRESOLVED:UNX",
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      "ligand_instance_id": "PDB:5C6S:LIG:H:UNX:1307:.",
      "protein_id": "UP:P55201",
      "domain_id": "UP:P55201:PWWP1",
      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
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      "contact_class": "native_annotation_core_contact",
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      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/5C6S",
      "ccd_url": "https://www.rcsb.org/ligand/UNX",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5C6S:LIG:D:EPE:1303:.:SITE:UP:P55201:PWWP1:A",
      "chemical_id": "INCHIKEY:JKMHFZQWWAIEOD-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:JKMHFZQWWAIEOD-UHFFFAOYSA-N",
      "pdb_id": "5C6S",
      "ligand_instance_id": "PDB:5C6S:LIG:D:EPE:1303:.",
      "protein_id": "UP:P55201",
      "domain_id": "UP:P55201:PWWP1",
      "source_role": "buffer/additive",
      "role_code": "buffer_component",
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      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
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      "source_url": "https://www.rcsb.org/structure/5C6S",
      "ccd_url": "https://www.rcsb.org/ligand/EPE",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:2X4Y:LIG:S:SO4:2208:.:SITE:UP:P55201:PWWP1:A",
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      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
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      "ligand_instance_id": "PDB:2X4Y:LIG:S:SO4:2208:.",
      "protein_id": "UP:P55201",
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      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
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      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/2X4Y",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:2X4W:LIG:C:FMT:2205:.:SITE:UP:P55201:PWWP1:A",
      "chemical_id": "INCHIKEY:BDAGIHXWWSANSR-UHFFFAOYSA-N",
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      "ligand_instance_id": "PDB:2X4W:LIG:C:FMT:2205:.",
      "protein_id": "UP:P55201",
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      "source_role": "buffer/additive",
      "role_code": "buffer_component",
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      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/2X4W",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5C6S:LIG:B:4K8:1301:.:SITE:UP:P55201:PWWP1:A",
      "chemical_id": "INCHIKEY:KVMMIDQDXZOPAB-UHFFFAOYSA-N",
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      "ligand_instance_id": "PDB:5C6S:LIG:B:4K8:1301:.",
      "protein_id": "UP:P55201",
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      "source_role": "experimentally deposited ligand",
      "role_code": "deposited_research_ligand",
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      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
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      "source_url": "https://www.rcsb.org/structure/5C6S",
      "ccd_url": "https://www.rcsb.org/ligand/4K8",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:3MO8:LIG:B:M3L:7:7:SITE:UP:P55201:PWWP1:A",
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      "protein_id": "UP:P55201",
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      "role_code": "unclassified_biological_component",
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      "contact_class": "native_annotation_core_contact",
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:2X4Y:LIG:B:M3L:36:15:SITE:UP:P55201:PWWP1:A",
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      "protein_id": "UP:P55201",
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      "role_code": "unclassified_biological_component",
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      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "protein_id": "UP:P55201",
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      "role_code": "unclassified_biological_component",
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      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:2X4X:LIG:B:M3L:36:15:SITE:UP:P55201:PWWP1:A",
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      "protein_id": "UP:P55201",
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      "source_role": null,
      "role_code": "unclassified_biological_component",
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      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
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      "source_url": "https://www.rcsb.org/structure/2X4X",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5C6S:LIG:M:UNX:1312:.:SITE:UP:P55201:PWWP1:A",
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      "ligand_instance_id": "PDB:5C6S:LIG:M:UNX:1312:.",
      "protein_id": "UP:P55201",
      "domain_id": "UP:P55201:PWWP1",
      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "native_annotation_core_contact",
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      "source_url": "https://www.rcsb.org/structure/5C6S",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5C6S:LIG:E:UNX:1304:.:SITE:UP:P55201:PWWP1:A",
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      "ligand_instance_id": "PDB:5C6S:LIG:E:UNX:1304:.",
      "protein_id": "UP:P55201",
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      "source_role": "unknown chemical component",
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      "source_url": "https://www.rcsb.org/structure/5C6S",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5C6S:LIG:F:UNX:1305:.:SITE:UP:P55201:PWWP1:A",
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      "ligand_instance_id": "PDB:5C6S:LIG:F:UNX:1305:.",
      "protein_id": "UP:P55201",
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      "source_role": "unknown chemical component",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "source_role": "unknown chemical component",
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5C6S:LIG:N:UNX:1313:.:SITE:UP:P55201:PWWP1:A",
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      "source_role": "unknown chemical component",
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      "verification_status": "phase5_derived_deposited_geometry",
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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    },
    {
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "ligand_instance_id": "PDB:5C6S:LIG:O:UNX:1314:.",
      "protein_id": "UP:P55201",
      "domain_id": "UP:P55201:PWWP1",
      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
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      "source_url": "https://www.rcsb.org/structure/5C6S",
      "ccd_url": "https://www.rcsb.org/ligand/UNX",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5C6S:LIG:K:UNX:1310:.:SITE:UP:P55201:PWWP1:A",
      "chemical_id": "CCD_UNRESOLVED:UNX",
      "compound_id": "CCD_UNRESOLVED:UNX",
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      "ligand_instance_id": "PDB:5C6S:LIG:K:UNX:1310:.",
      "protein_id": "UP:P55201",
      "domain_id": "UP:P55201:PWWP1",
      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
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      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
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      "source_url": "https://www.rcsb.org/structure/5C6S",
      "ccd_url": "https://www.rcsb.org/ligand/UNX",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:3PFS:LIG:D:SO4:1300:.:SITE:UP:Q9ULD4:PWWP1:A",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "3PFS",
      "ligand_instance_id": "PDB:3PFS:LIG:D:SO4:1300:.",
      "protein_id": "UP:Q9ULD4",
      "domain_id": "UP:Q9ULD4:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
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      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/3PFS",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:6OQM:LIG:H:UNX:207:.:SITE:UP:P52701:PWWP1:A",
      "chemical_id": "CCD_UNRESOLVED:UNX",
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      "ligand_instance_id": "PDB:6OQM:LIG:H:UNX:207:.",
      "protein_id": "UP:P52701",
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      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
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      "exact_pwwp_contact": false,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
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      "source_url": "https://www.rcsb.org/structure/6OQM",
      "ccd_url": "https://www.rcsb.org/ligand/UNX",
      "coordinate_sha256": "a56fb9d51ad4436d3d8bd187a570af2e5abb25e5e52e2e3b8d472ba15d2dfed5",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:3L42:LIG:D:UNX:3:.:SITE:UP:P55201:PWWP1:A",
      "chemical_id": "CCD_UNRESOLVED:UNX",
      "compound_id": "CCD_UNRESOLVED:UNX",
      "pdb_id": "3L42",
      "ligand_instance_id": "PDB:3L42:LIG:D:UNX:3:.",
      "protein_id": "UP:P55201",
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      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
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      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": false,
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      "ccd_url": "https://www.rcsb.org/ligand/UNX",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:6OQM:LIG:F:SO4:205:.:SITE:UP:P52701:PWWP1:A",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "6OQM",
      "ligand_instance_id": "PDB:6OQM:LIG:F:SO4:205:.",
      "protein_id": "UP:P52701",
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      "source_role": "ion/additive",
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      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
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      "source_url": "https://www.rcsb.org/structure/6OQM",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "a56fb9d51ad4436d3d8bd187a570af2e5abb25e5e52e2e3b8d472ba15d2dfed5",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:3L42:LIG:C:UNX:2:.:SITE:UP:P55201:PWWP1:A",
      "chemical_id": "CCD_UNRESOLVED:UNX",
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      "ligand_instance_id": "PDB:3L42:LIG:C:UNX:2:.",
      "protein_id": "UP:P55201",
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      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
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      "exact_pwwp_contact": false,
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      "source_url": "https://www.rcsb.org/structure/3L42",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5C6S:LIG:R:UNX:1317:.:SITE:UP:P55201:PWWP1:A",
      "chemical_id": "CCD_UNRESOLVED:UNX",
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      "ligand_instance_id": "PDB:5C6S:LIG:R:UNX:1317:.",
      "protein_id": "UP:P55201",
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      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
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      "exact_pwwp_contact": false,
      "contact_class": "native_annotation_core_contact",
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      "source_url": "https://www.rcsb.org/structure/5C6S",
      "ccd_url": "https://www.rcsb.org/ligand/UNX",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5C6S:LIG:P:UNX:1315:.:SITE:UP:P55201:PWWP1:A",
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      "ligand_instance_id": "PDB:5C6S:LIG:P:UNX:1315:.",
      "protein_id": "UP:P55201",
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      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
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      "exact_pwwp_contact": false,
      "contact_class": "native_annotation_core_contact",
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      "source_url": "https://www.rcsb.org/structure/5C6S",
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      "coordinate_sha256": "11177c1e1dd3c3da1e8f13cd9027a2c09ee81fb4d06a757069aaa72655dded76",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:3L42:LIG:B:UNX:1:.:SITE:UP:P55201:PWWP1:A",
      "chemical_id": "CCD_UNRESOLVED:UNX",
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      "ligand_instance_id": "PDB:3L42:LIG:B:UNX:1:.",
      "protein_id": "UP:P55201",
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      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
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      "contact_class": "native_annotation_core_contact",
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      "source_url": "https://www.rcsb.org/structure/3L42",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5C6S:LIG:G:UNX:1306:.:SITE:UP:P55201:PWWP1:A",
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      "ligand_instance_id": "PDB:5C6S:LIG:G:UNX:1306:.",
      "protein_id": "UP:P55201",
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      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
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      "source_url": "https://www.rcsb.org/structure/5C6S",
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      "coordinate_sha256": "11177c1e1dd3c3da1e8f13cd9027a2c09ee81fb4d06a757069aaa72655dded76",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5C6S:LIG:Q:UNX:1316:.:SITE:UP:P55201:PWWP1:A",
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      "compound_id": "CCD_UNRESOLVED:UNX",
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      "ligand_instance_id": "PDB:5C6S:LIG:Q:UNX:1316:.",
      "protein_id": "UP:P55201",
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      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "broader_Pfam_PWWP_contact",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/5C6S",
      "ccd_url": "https://www.rcsb.org/ligand/UNX",
      "coordinate_sha256": "11177c1e1dd3c3da1e8f13cd9027a2c09ee81fb4d06a757069aaa72655dded76",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5C6S:LIG:J:UNX:1309:.:SITE:UP:P55201:PWWP1:A",
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      "ligand_instance_id": "PDB:5C6S:LIG:J:UNX:1309:.",
      "protein_id": "UP:P55201",
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      "source_role": "unknown chemical component",
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      "source_url": "https://www.rcsb.org/structure/5C6S",
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      "coordinate_sha256": "11177c1e1dd3c3da1e8f13cd9027a2c09ee81fb4d06a757069aaa72655dded76",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5C6S:LIG:I:UNX:1308:.:SITE:UP:P55201:PWWP1:A",
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      "source_role": "unknown chemical component",
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      "source_url": "https://www.rcsb.org/structure/5C6S",
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      "coordinate_sha256": "11177c1e1dd3c3da1e8f13cd9027a2c09ee81fb4d06a757069aaa72655dded76",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:6OQM:LIG:I:UNX:208:.:SITE:UP:P52701:PWWP1:A",
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      "protein_id": "UP:P52701",
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      "source_role": "unknown chemical component",
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      "structural_research_ligand": false,
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      "source_url": "https://www.rcsb.org/structure/6OQM",
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      "coordinate_sha256": "a56fb9d51ad4436d3d8bd187a570af2e5abb25e5e52e2e3b8d472ba15d2dfed5",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "ligand_instance_id": "PDB:6OQM:LIG:D:SO4:203:.",
      "protein_id": "UP:P52701",
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      "source_role": "ion/additive",
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      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/6OQM",
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      "coordinate_sha256": "a56fb9d51ad4436d3d8bd187a570af2e5abb25e5e52e2e3b8d472ba15d2dfed5",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "protein_id": "UP:P52701",
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      "source_role": "ion",
      "role_code": "ion_or_salt",
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      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/6OQM",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
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    },
    {
      "site_id": "PDB:9GRV:LIG:D:HHN:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
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      "ligand_instance_id": "PDB:9GRV:LIG:D:HHN:101:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally studied ligand",
      "role_code": "reported_studied_structural_ligand",
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      "structural_research_ligand": true,
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9G96:LIG:D:A1II2:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:XYXFWJIPNFLQRI-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:XYXFWJIPNFLQRI-UHFFFAOYSA-N",
      "pdb_id": "9G96",
      "ligand_instance_id": "PDB:9G96:LIG:D:A1II2:102:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally studied ligand",
      "role_code": "reported_studied_structural_ligand",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/9G96",
      "ccd_url": "https://www.rcsb.org/ligand/A1II2",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9GRU:LIG:D:PYZ:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:LLNQWPTUJJYTTE-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:LLNQWPTUJJYTTE-UHFFFAOYSA-N",
      "pdb_id": "9GRU",
      "ligand_instance_id": "PDB:9GRU:LIG:D:PYZ:101:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally studied ligand",
      "role_code": "reported_studied_structural_ligand",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/9GRU",
      "ccd_url": "https://www.rcsb.org/ligand/PYZ",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9G91:LIG:D:A1II3:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:ZSRUKYFBDGVFQS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:ZSRUKYFBDGVFQS-UHFFFAOYSA-N",
      "pdb_id": "9G91",
      "ligand_instance_id": "PDB:9G91:LIG:D:A1II3:102:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally studied ligand",
      "role_code": "reported_studied_structural_ligand",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/9G91",
      "ccd_url": "https://www.rcsb.org/ligand/A1II3",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9I7D:LIG:C:GOL:201:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:PEDCQBHIVMGVHV-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PEDCQBHIVMGVHV-UHFFFAOYSA-N",
      "pdb_id": "9I7D",
      "ligand_instance_id": "PDB:9I7D:LIG:C:GOL:201:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "cryoprotectant/additive",
      "role_code": "cryoprotectant",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/9I7D",
      "ccd_url": "https://www.rcsb.org/ligand/GOL",
      "coordinate_sha256": "75baf00d0de5d2fed6806f9200bc6ae3cdae675a8a9bec694d5e801ce95be652",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:8Z6C:LIG:F:SO4:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "8Z6C",
      "ligand_instance_id": "PDB:8Z6C:LIG:F:SO4:103:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/8Z6C",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "a52b0ce0d915a4ec6357f5dce14e0dbbacdb5fa856c24981a9187cf4168156c2",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9G96:LIG:E:SO4:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
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      "ligand_instance_id": "PDB:9G96:LIG:E:SO4:103:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
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      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/9G96",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "db835a0c10cdf7b71baef223f6c406631cc9ba018ebe804c89b249dba0089c0a",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HH1:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "7HH1",
      "ligand_instance_id": "PDB:7HH1:LIG:E:SO4:102:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/7HH1",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "3fb02346474120f1d595038a69ed75bd45d229e50a3b56a6bce2755faf1a5c6b",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:3QJ6:LIG:C:SO4:94:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "3QJ6",
      "ligand_instance_id": "PDB:3QJ6:LIG:C:SO4:94:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/3QJ6",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "f720a2922538e7d6e95f6e4fd903d79b7bbcccce3545cf1534e124b8d88b95a9",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGM:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "7HGM",
      "ligand_instance_id": "PDB:7HGM:LIG:E:SO4:102:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/7HGM",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "f021515fcc93f71d32c3e0682b0e0209a12607a2e970402ef64c3f2287eb8b4f",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGB:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "7HGB",
      "ligand_instance_id": "PDB:7HGB:LIG:E:SO4:102:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/7HGB",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "f7c57aabcf1cbcb0badead18c8a303bcf86dcee8e39f832783bc0d41e70083a4",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9I7B:LIG:D:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "9I7B",
      "ligand_instance_id": "PDB:9I7B:LIG:D:SO4:102:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/9I7B",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HHB:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "7HHB",
      "ligand_instance_id": "PDB:7HHB:LIG:E:SO4:102:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/7HHB",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "74de6fef6f1404d5004e36652caa36db3bc786168e2e14eb800946685437d846",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9I7G:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "9I7G",
      "ligand_instance_id": "PDB:9I7G:LIG:E:SO4:102:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/9I7G",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "daa4104a7c361507f3684c1ac0076be6f34440b751220496d023c1239f9f1030",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HH4:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "7HH4",
      "ligand_instance_id": "PDB:7HH4:LIG:E:SO4:102:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/7HH4",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "510e664fc490fc6f401324f1ab8850f0e0dcd84c18bb674bd7a5d054beea887a",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HHH:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "7HHH",
      "ligand_instance_id": "PDB:7HHH:LIG:E:SO4:102:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/7HHH",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "9e52cc0ac3ddabe91df419243d0747edd30ee443d5b8dedd4b81d35ec9117e03",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGR:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "7HGR",
      "ligand_instance_id": "PDB:7HGR:LIG:E:SO4:102:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/7HGR",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "2ca1b4041b4c96b0e7749cd3d9aad022f01a1573bb2740a2e6a3bfbb904ed97f",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HHI:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "7HHI",
      "ligand_instance_id": "PDB:7HHI:LIG:E:SO4:102:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
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      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/7HHI",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "e04aec54f564bf2396912573e1b5eada70aafb996909843e818bb885e0906dfc",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HG9:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
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      "ligand_instance_id": "PDB:7HG9:LIG:E:SO4:102:.",
      "protein_id": "UP:Q7Z4V5",
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      "verification_status": "phase5_derived_deposited_geometry",
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HH9:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
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      "ligand_instance_id": "PDB:7HH9:LIG:E:SO4:102:.",
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "verification_status": "phase5_derived_deposited_geometry",
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    },
    {
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      "verification_status": "phase5_derived_deposited_geometry",
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    },
    {
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HH5:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
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      "protein_id": "UP:Q7Z4V5",
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      "verification_status": "phase5_derived_deposited_geometry",
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "protein_id": "UP:Q7Z4V5",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "ligand_instance_id": "PDB:7HGL:LIG:E:SO4:102:.",
      "protein_id": "UP:Q7Z4V5",
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      "source_role": "ion/additive",
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      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
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    },
    {
      "site_id": "PDB:7HHL:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
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      "protein_id": "UP:Q7Z4V5",
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      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
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    },
    {
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      "protein_id": "UP:Q7Z4V5",
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      "source_role": "ion/additive",
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      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9GRU:LIG:F:SO4:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
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      "source_role": "ion/additive",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGW:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
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      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "source_role": "ion/additive",
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    },
    {
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    },
    {
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      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
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    },
    {
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGT:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "7HGT",
      "ligand_instance_id": "PDB:7HGT:LIG:E:SO4:102:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
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      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
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      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/7HGT",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "a107fb099de003d1d957a6e83547aa44668cf35f9700f55688355b71c138882c",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGD:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "7HGD",
      "ligand_instance_id": "PDB:7HGD:LIG:E:SO4:102:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/7HGD",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "9f7e40d82eaf44999210f98706ce0972d403570c34f676b63ecb06c306513737",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGG:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "7HGG",
      "ligand_instance_id": "PDB:7HGG:LIG:E:SO4:102:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/7HGG",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "5da158f87adcb23832a391a2583061662ea6b868d4f34709b21174a08fbfdc8a",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGZ:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "7HGZ",
      "ligand_instance_id": "PDB:7HGZ:LIG:E:SO4:102:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/7HGZ",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "60460ecf483e4ac414e0ccf28d2818474cf4cb2a967f78d66b6b8a9f259ad88d",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HHF:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "7HHF",
      "ligand_instance_id": "PDB:7HHF:LIG:E:SO4:102:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/7HHF",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "713b30775d7e5194ba3487e09e70f0b6b4cc85fe884ea835f44ef6d740f52059",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9G94:LIG:F:SO4:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "9G94",
      "ligand_instance_id": "PDB:9G94:LIG:F:SO4:103:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/9G94",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "77cc947e76da8d5e49e56df359b3db472fe81dbdfabfc36f99d53b3c18200802",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HH8:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "7HH8",
      "ligand_instance_id": "PDB:7HH8:LIG:E:SO4:102:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/7HH8",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "3251ddf4154454b01892cc2df8128bc5179388b4d51210a6201d2324a8037aa3",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HHP:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "7HHP",
      "ligand_instance_id": "PDB:7HHP:LIG:E:SO4:102:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/7HHP",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "1c3b7d67c238bf0ad23d5d162842759e923a577a117f31d72b899460a8a4fe66",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9GRT:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "9GRT",
      "ligand_instance_id": "PDB:9GRT:LIG:G:SO4:104:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/9GRT",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "624187a831cadcf3788247606ed693e3003cfdb7dfd1ac42a6d3fe8df7279158",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGQ:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "7HGQ",
      "ligand_instance_id": "PDB:7HGQ:LIG:E:SO4:102:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/7HGQ",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "d0b40399ea633fa30c029195678df2fc7f3549e85a2f116247092761b4be7d55",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9GRV:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
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      "pdb_id": "9GRV",
      "ligand_instance_id": "PDB:9GRV:LIG:G:SO4:104:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/9GRV",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "bd3cc182301ffc15e36800312a460cb48626c939dc7fe4b6ae243b6c40e8837f",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGH:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "7HGH",
      "ligand_instance_id": "PDB:7HGH:LIG:E:SO4:102:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/7HGH",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:3QBY:LIG:N:UNX:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "CCD_UNRESOLVED:UNX",
      "compound_id": "CCD_UNRESOLVED:UNX",
      "pdb_id": "3QBY",
      "ligand_instance_id": "PDB:3QBY:LIG:N:UNX:103:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/3QBY",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:3QBY:LIG:K:UNX:100:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "CCD_UNRESOLVED:UNX",
      "compound_id": "CCD_UNRESOLVED:UNX",
      "pdb_id": "3QBY",
      "ligand_instance_id": "PDB:3QBY:LIG:K:UNX:100:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/3QBY",
      "ccd_url": "https://www.rcsb.org/ligand/UNX",
      "coordinate_sha256": "4f5a434d2509ed7339960ff4604249a6c018761b14e740b671f8a7013873a3b2",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:4FU6:LIG:C:SO4:202:.:SITE:UP:O75475:PWWP1:A",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "4FU6",
      "ligand_instance_id": "PDB:4FU6:LIG:C:SO4:202:.",
      "protein_id": "UP:O75475",
      "domain_id": "UP:O75475:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/4FU6",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "c7b1a6796642837ff46e44d9b86d2e1909fbbde3bd2e50e2c5af0965dbb26319",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:8Z6C:LIG:D:A1D73:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:LKKNQJJSEMQTHQ-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:LKKNQJJSEMQTHQ-UHFFFAOYSA-N",
      "pdb_id": "8Z6C",
      "ligand_instance_id": "PDB:8Z6C:LIG:D:A1D73:101:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally studied ligand",
      "role_code": "reported_studied_structural_ligand",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/8Z6C",
      "ccd_url": "https://www.rcsb.org/ligand/A1D73",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:8Z6O:LIG:C:DMS:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:IAZDPXIOMUYVGZ-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:IAZDPXIOMUYVGZ-UHFFFAOYSA-N",
      "pdb_id": "8Z6O",
      "ligand_instance_id": "PDB:8Z6O:LIG:C:DMS:101:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "solvent",
      "role_code": "solvent",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/8Z6O",
      "ccd_url": "https://www.rcsb.org/ligand/DMS",
      "coordinate_sha256": "80d1a2369d1ebdb0aa342c4273e6641a37cb6e245960b063aeeea5a83bd64ba9",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HH4:LIG:G:A1A39:104:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:QLSDWIHANVSIEK-SECBINFHSA-N",
      "compound_id": "INCHIKEY:QLSDWIHANVSIEK-SECBINFHSA-N",
      "pdb_id": "7HH4",
      "ligand_instance_id": "PDB:7HH4:LIG:G:A1A39:104:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7HH4",
      "ccd_url": "https://www.rcsb.org/ligand/A1A39",
      "coordinate_sha256": "510e664fc490fc6f401324f1ab8850f0e0dcd84c18bb674bd7a5d054beea887a",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGP:LIG:G:I8G:104:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:AJVMKMWCEVOBPX-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:AJVMKMWCEVOBPX-UHFFFAOYSA-N",
      "pdb_id": "7HGP",
      "ligand_instance_id": "PDB:7HGP:LIG:G:I8G:104:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7HGP",
      "ccd_url": "https://www.rcsb.org/ligand/I8G",
      "coordinate_sha256": "fd3bffaa62fd60e51e5e3706662dd3db9588a80a1d458d937d180f91377be882",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGD:LIG:G:A1A3S:104:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:CPSZUJVUZDHXHY-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:CPSZUJVUZDHXHY-UHFFFAOYSA-N",
      "pdb_id": "7HGD",
      "ligand_instance_id": "PDB:7HGD:LIG:G:A1A3S:104:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7HGD",
      "ccd_url": "https://www.rcsb.org/ligand/A1A3S",
      "coordinate_sha256": "9f7e40d82eaf44999210f98706ce0972d403570c34f676b63ecb06c306513737",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HHA:LIG:G:TE0:104:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:FXILSJTWIHHRJV-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:FXILSJTWIHHRJV-UHFFFAOYSA-N",
      "pdb_id": "7HHA",
      "ligand_instance_id": "PDB:7HHA:LIG:G:TE0:104:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7HHA",
      "ccd_url": "https://www.rcsb.org/ligand/TE0",
      "coordinate_sha256": "0977174f22f089865e89947b3557802914442bbb498a59ad346634e1bd059dc4",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9G94:LIG:D:A1D73:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:LKKNQJJSEMQTHQ-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:LKKNQJJSEMQTHQ-UHFFFAOYSA-N",
      "pdb_id": "9G94",
      "ligand_instance_id": "PDB:9G94:LIG:D:A1D73:101:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally studied ligand",
      "role_code": "reported_studied_structural_ligand",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/9G94",
      "ccd_url": "https://www.rcsb.org/ligand/A1D73",
      "coordinate_sha256": "77cc947e76da8d5e49e56df359b3db472fe81dbdfabfc36f99d53b3c18200802",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HH5:LIG:G:WO7:104:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:TWJPZMYNUBAUGA-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:TWJPZMYNUBAUGA-UHFFFAOYSA-N",
      "pdb_id": "7HH5",
      "ligand_instance_id": "PDB:7HH5:LIG:G:WO7:104:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7HH5",
      "ccd_url": "https://www.rcsb.org/ligand/WO7",
      "coordinate_sha256": "058351dbd2e4ce165afbba57190f1b162ed25815113d630b5dc92a743056fbaa",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HHQ:LIG:G:A1A3Y:104:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:ZSHAGSDVWLLMSY-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:ZSHAGSDVWLLMSY-UHFFFAOYSA-N",
      "pdb_id": "7HHQ",
      "ligand_instance_id": "PDB:7HHQ:LIG:G:A1A3Y:104:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7HHQ",
      "ccd_url": "https://www.rcsb.org/ligand/A1A3Y",
      "coordinate_sha256": "3db40389d998c939de713cf3251ae1ad2a6f34492bfbddb156a460ebc2519b6d",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HH8:LIG:G:KF8:104:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:ZFLKDMGBVZHBAC-NSHDSACASA-N",
      "compound_id": "INCHIKEY:ZFLKDMGBVZHBAC-NSHDSACASA-N",
      "pdb_id": "7HH8",
      "ligand_instance_id": "PDB:7HH8:LIG:G:KF8:104:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7HH8",
      "ccd_url": "https://www.rcsb.org/ligand/KF8",
      "coordinate_sha256": "3251ddf4154454b01892cc2df8128bc5179388b4d51210a6201d2324a8037aa3",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HG2:LIG:G:A1H97:104:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:ITTBXBSSJHVWJS-LLVKDONJSA-N",
      "compound_id": "INCHIKEY:ITTBXBSSJHVWJS-LLVKDONJSA-N",
      "pdb_id": "7HG2",
      "ligand_instance_id": "PDB:7HG2:LIG:G:A1H97:104:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7HG2",
      "ccd_url": "https://www.rcsb.org/ligand/A1H97",
      "coordinate_sha256": "e97ff28ea286827500e032d266eb70f9db7e1cf1610f12236e8936d6799c293d",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9GRS:LIG:D:DMS:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:IAZDPXIOMUYVGZ-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:IAZDPXIOMUYVGZ-UHFFFAOYSA-N",
      "pdb_id": "9GRS",
      "ligand_instance_id": "PDB:9GRS:LIG:D:DMS:101:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "solvent",
      "role_code": "solvent",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/9GRS",
      "ccd_url": "https://www.rcsb.org/ligand/DMS",
      "coordinate_sha256": "ea6962be06f3f0d1f1eafd6f9dc63f52f2ac283158251f34bbd80282a812975c",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9I7C:LIG:D:DMS:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:IAZDPXIOMUYVGZ-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:IAZDPXIOMUYVGZ-UHFFFAOYSA-N",
      "pdb_id": "9I7C",
      "ligand_instance_id": "PDB:9I7C:LIG:D:DMS:101:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "solvent",
      "role_code": "solvent",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/9I7C",
      "ccd_url": "https://www.rcsb.org/ligand/DMS",
      "coordinate_sha256": "babfb2ebe98bc9ec324f6855694a3dcead238b2e3a72cfbda5b8d0506014bd1f",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGV:LIG:G:A1A33:104:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:LZXLHLSTUPFULX-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:LZXLHLSTUPFULX-UHFFFAOYSA-N",
      "pdb_id": "7HGV",
      "ligand_instance_id": "PDB:7HGV:LIG:G:A1A33:104:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7HGV",
      "ccd_url": "https://www.rcsb.org/ligand/A1A33",
      "coordinate_sha256": "fe1cd4a27d551a8b13bcaa79554d9465554b4cef3df247fcbe05f1598bea4c6f",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HHK:LIG:G:LPU:104:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:UPEFDWJLNXWMOW-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:UPEFDWJLNXWMOW-UHFFFAOYSA-N",
      "pdb_id": "7HHK",
      "ligand_instance_id": "PDB:7HHK:LIG:G:LPU:104:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7HHK",
      "ccd_url": "https://www.rcsb.org/ligand/LPU",
      "coordinate_sha256": "1a3c7b8e5d015f78992c468b0a82329764e92610b40da0f8fca9467f05dcd6a1",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:3QJ6:LIG:B:M3L:79:7:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O",
      "compound_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O",
      "pdb_id": "3QJ6",
      "ligand_instance_id": "PDB:3QJ6:LIG:B:M3L:79:7",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": null,
      "role_code": "unclassified_biological_component",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/3QJ6",
      "ccd_url": "https://www.rcsb.org/ligand/M3L",
      "coordinate_sha256": "f720a2922538e7d6e95f6e4fd903d79b7bbcccce3545cf1534e124b8d88b95a9",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HHE:LIG:G:A1A38:104:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:DIBVGDONZMMHTK-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:DIBVGDONZMMHTK-UHFFFAOYSA-N",
      "pdb_id": "7HHE",
      "ligand_instance_id": "PDB:7HHE:LIG:G:A1A38:104:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7HHE",
      "ccd_url": "https://www.rcsb.org/ligand/A1A38",
      "coordinate_sha256": "7ec19fe862a32d2e45b19f4ec6caed24fc0d1778b7ba1d83733db11e1f83a78a",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGM:LIG:G:A1AM1:104:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:IOOTXFHTMOUUHM-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:IOOTXFHTMOUUHM-UHFFFAOYSA-N",
      "pdb_id": "7HGM",
      "ligand_instance_id": "PDB:7HGM:LIG:G:A1AM1:104:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7HGM",
      "ccd_url": "https://www.rcsb.org/ligand/A1AM1",
      "coordinate_sha256": "f021515fcc93f71d32c3e0682b0e0209a12607a2e970402ef64c3f2287eb8b4f",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9I7B:LIG:C:DMS:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:IAZDPXIOMUYVGZ-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:IAZDPXIOMUYVGZ-UHFFFAOYSA-N",
      "pdb_id": "9I7B",
      "ligand_instance_id": "PDB:9I7B:LIG:C:DMS:101:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "solvent",
      "role_code": "solvent",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/9I7B",
      "ccd_url": "https://www.rcsb.org/ligand/DMS",
      "coordinate_sha256": "40ad919ea3f91a24d33eddd4ed2d09ff4c74e265808ecf8ece4eb3f925089f58",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9GRT:LIG:D:BYZ:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:WVGCPEDBFHEHEZ-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:WVGCPEDBFHEHEZ-UHFFFAOYSA-N",
      "pdb_id": "9GRT",
      "ligand_instance_id": "PDB:9GRT:LIG:D:BYZ:101:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally studied ligand",
      "role_code": "reported_studied_structural_ligand",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/9GRT",
      "ccd_url": "https://www.rcsb.org/ligand/BYZ",
      "coordinate_sha256": "624187a831cadcf3788247606ed693e3003cfdb7dfd1ac42a6d3fe8df7279158",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGZ:LIG:G:NYV:104:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:DEJLCHRMKBBNPV-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:DEJLCHRMKBBNPV-UHFFFAOYSA-N",
      "pdb_id": "7HGZ",
      "ligand_instance_id": "PDB:7HGZ:LIG:G:NYV:104:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7HGZ",
      "ccd_url": "https://www.rcsb.org/ligand/NYV",
      "coordinate_sha256": "60460ecf483e4ac414e0ccf28d2818474cf4cb2a967f78d66b6b8a9f259ad88d",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9I7F:LIG:G:EDO:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:LYCAIKOWRPUZTN-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:LYCAIKOWRPUZTN-UHFFFAOYSA-N",
      "pdb_id": "9I7F",
      "ligand_instance_id": "PDB:9I7F:LIG:G:EDO:101:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "cryoprotectant/additive",
      "role_code": "cryoprotectant",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/9I7F",
      "ccd_url": "https://www.rcsb.org/ligand/EDO",
      "coordinate_sha256": "237f68a9875104d57e6ebc9c62208383f996a6710e831b27711baaddf338da6a",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9I7H:LIG:C:MPD:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:SVTBMSDMJJWYQN-YFKPBYRVSA-N",
      "compound_id": "INCHIKEY:SVTBMSDMJJWYQN-YFKPBYRVSA-N",
      "pdb_id": "9I7H",
      "ligand_instance_id": "PDB:9I7H:LIG:C:MPD:101:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "crystallization additive",
      "role_code": "crystallization_additive",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/9I7H",
      "ccd_url": "https://www.rcsb.org/ligand/MPD",
      "coordinate_sha256": "5fa41b5841bd68a96dc6f0b5b83151ba731a362e07508332143dec8096788f8a",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9S81:LIG:E:CXS:101:.:SITE:UP:O75475:PWWP1:B",
      "chemical_id": "INCHIKEY:PJWWRFATQTVXHA-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PJWWRFATQTVXHA-UHFFFAOYSA-N",
      "pdb_id": "9S81",
      "ligand_instance_id": "PDB:9S81:LIG:E:CXS:101:.",
      "protein_id": "UP:O75475",
      "domain_id": "UP:O75475:PWWP1",
      "source_role": "buffer/additive",
      "role_code": "buffer_component",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/9S81",
      "ccd_url": "https://www.rcsb.org/ligand/CXS",
      "coordinate_sha256": "dc382a953062d48af9aa860717e40f01a0b8060afeb80d589608f1424e1807c3",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:4FU6:LIG:E:GOL:204:.:SITE:UP:O75475:PWWP1:A",
      "chemical_id": "INCHIKEY:PEDCQBHIVMGVHV-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PEDCQBHIVMGVHV-UHFFFAOYSA-N",
      "pdb_id": "4FU6",
      "ligand_instance_id": "PDB:4FU6:LIG:E:GOL:204:.",
      "protein_id": "UP:O75475",
      "domain_id": "UP:O75475:PWWP1",
      "source_role": "cryoprotectant/additive",
      "role_code": "cryoprotectant",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/4FU6",
      "ccd_url": "https://www.rcsb.org/ligand/GOL",
      "coordinate_sha256": "c7b1a6796642837ff46e44d9b86d2e1909fbbde3bd2e50e2c5af0965dbb26319",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:6OQM:LIG:B:UNX:201:.:SITE:UP:P52701:PWWP1:A",
      "chemical_id": "CCD_UNRESOLVED:UNX",
      "compound_id": "CCD_UNRESOLVED:UNX",
      "pdb_id": "6OQM",
      "ligand_instance_id": "PDB:6OQM:LIG:B:UNX:201:.",
      "protein_id": "UP:P52701",
      "domain_id": "UP:P52701:PWWP1",
      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "broader_Pfam_PWWP_contact",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/6OQM",
      "ccd_url": "https://www.rcsb.org/ligand/UNX",
      "coordinate_sha256": "a56fb9d51ad4436d3d8bd187a570af2e5abb25e5e52e2e3b8d472ba15d2dfed5",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:6IIQ:LIG:H:MLA:101:.:SITE:UP:Q9Y3E1:PWWP1:A",
      "chemical_id": "INCHIKEY:OFOBLEOULBTSOW-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:OFOBLEOULBTSOW-UHFFFAOYSA-N",
      "pdb_id": "6IIQ",
      "ligand_instance_id": "PDB:6IIQ:LIG:H:MLA:101:.",
      "protein_id": "UP:Q9Y3E1",
      "domain_id": "UP:Q9Y3E1:PWWP1",
      "source_role": "buffer/additive",
      "role_code": "buffer_component",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/6IIQ",
      "ccd_url": "https://www.rcsb.org/ligand/MLA",
      "coordinate_sha256": "eb0a6ebdd81c2989484b2307da3a4577e656a20edfafcc60f681a5ac34684b29",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:6KCU:LIG:B:BTB:800:.:SITE:UP:Q9VAA9:PWWP1:A",
      "chemical_id": "INCHIKEY:OWMVSZAMULFTJU-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:OWMVSZAMULFTJU-UHFFFAOYSA-N",
      "pdb_id": "6KCU",
      "ligand_instance_id": "PDB:6KCU:LIG:B:BTB:800:.",
      "protein_id": "UP:Q9VAA9",
      "domain_id": "UP:Q9VAA9:PWWP1",
      "source_role": "buffer/additive",
      "role_code": "buffer_component",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/6KCU",
      "ccd_url": "https://www.rcsb.org/ligand/BTB",
      "coordinate_sha256": "5726bdbb11bcd1a0bee30638057f898cfabc80ee54d0f9cafbd6050861f46f8b",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:6IIP:LIG:F:SO4:104:.:SITE:UP:Q9Y3E1:PWWP1:A",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "6IIP",
      "ligand_instance_id": "PDB:6IIP:LIG:F:SO4:104:.",
      "protein_id": "UP:Q9Y3E1",
      "domain_id": "UP:Q9Y3E1:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/6IIP",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "de760b33d8b4538fb9105f359a96f18ad195db1a5a0c3ba4b4b42502e72333c2",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9I7E:LIG:C:EDO:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:LYCAIKOWRPUZTN-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:LYCAIKOWRPUZTN-UHFFFAOYSA-N",
      "pdb_id": "9I7E",
      "ligand_instance_id": "PDB:9I7E:LIG:C:EDO:101:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "cryoprotectant/additive",
      "role_code": "cryoprotectant",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/9I7E",
      "ccd_url": "https://www.rcsb.org/ligand/EDO",
      "coordinate_sha256": "2d9155c00715884e1a7a34990650be2b2495aab29233acf09c7eef87804ff681",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9I7B:LIG:E:SO4:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "9I7B",
      "ligand_instance_id": "PDB:9I7B:LIG:E:SO4:103:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/9I7B",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "40ad919ea3f91a24d33eddd4ed2d09ff4c74e265808ecf8ece4eb3f925089f58",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:3QBY:LIG:H:UNX:97:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "CCD_UNRESOLVED:UNX",
      "compound_id": "CCD_UNRESOLVED:UNX",
      "pdb_id": "3QBY",
      "ligand_instance_id": "PDB:3QBY:LIG:H:UNX:97:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/3QBY",
      "ccd_url": "https://www.rcsb.org/ligand/UNX",
      "coordinate_sha256": "4f5a434d2509ed7339960ff4604249a6c018761b14e740b671f8a7013873a3b2",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HHQ:LIG:D:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "7HHQ",
      "ligand_instance_id": "PDB:7HHQ:LIG:D:SO4:101:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/7HHQ",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "3db40389d998c939de713cf3251ae1ad2a6f34492bfbddb156a460ebc2519b6d",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9I7D:LIG:D:SO4:202:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "9I7D",
      "ligand_instance_id": "PDB:9I7D:LIG:D:SO4:202:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/9I7D",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "75baf00d0de5d2fed6806f9200bc6ae3cdae675a8a9bec694d5e801ce95be652",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HH8:LIG:D:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "7HH8",
      "ligand_instance_id": "PDB:7HH8:LIG:D:SO4:101:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/7HH8",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "3251ddf4154454b01892cc2df8128bc5179388b4d51210a6201d2324a8037aa3",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGZ:LIG:D:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "7HGZ",
      "ligand_instance_id": "PDB:7HGZ:LIG:D:SO4:101:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/7HGZ",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "60460ecf483e4ac414e0ccf28d2818474cf4cb2a967f78d66b6b8a9f259ad88d",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HHB:LIG:D:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "7HHB",
      "ligand_instance_id": "PDB:7HHB:LIG:D:SO4:101:.",
      "protein_id": "UP:Q7Z4V5",
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      "source_role": "ion/additive",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
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    },
    {
      "site_id": "PDB:4FU6:LIG:B:SO4:201:.:SITE:UP:O75475:PWWP1:A",
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      "ligand_instance_id": "PDB:4FU6:LIG:B:SO4:201:.",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "ligand_instance_id": "PDB:4FU6:LIG:I:UNX:208:.",
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      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
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    },
    {
      "site_id": "PDB:6IIP:LIG:C:MES:101:.:SITE:UP:Q9Y3E1:PWWP1:A",
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      "ligand_instance_id": "PDB:6IIP:LIG:C:MES:101:.",
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      "source_role": "buffer/additive",
      "role_code": "buffer_component",
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      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
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    },
    {
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
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    },
    {
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      "protein_id": "UP:Q9Y3E1",
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      "source_role": null,
      "role_code": "unclassified_biological_component",
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      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
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    },
    {
      "site_id": "PDB:3QBY:LIG:M:UNX:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
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      "source_role": "unknown chemical component",
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    },
    {
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    },
    {
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      "source_role": "crystallization additive",
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    },
    {
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
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    },
    {
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      "source_role": "unknown chemical component",
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    },
    {
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      "verification_status": "phase5_derived_deposited_geometry",
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    },
    {
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    {
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      "verification_status": "phase5_derived_deposited_geometry",
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    },
    {
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    },
    {
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    },
    {
      "site_id": "PDB:9Y60:LIG:B:A1CSP:4000:.:SITE:UP:O96028:PWWP1:A",
      "chemical_id": "INCHIKEY:CPHQGJPWIFPPTQ-VIFPVBQESA-N",
      "compound_id": "INCHIKEY:CPHQGJPWIFPPTQ-VIFPVBQESA-N",
      "pdb_id": "9Y60",
      "ligand_instance_id": "PDB:9Y60:LIG:B:A1CSP:4000:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "experimentally studied ligand",
      "role_code": "reported_studied_structural_ligand",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/9Y60",
      "ccd_url": "https://www.rcsb.org/ligand/A1CSP",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9KNB:LIG:C:A1EF7:502:.:SITE:UP:O96028:PWWP1:A",
      "chemical_id": "INCHIKEY:DGVCWDGVOWMWNP-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:DGVCWDGVOWMWNP-UHFFFAOYSA-N",
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      "ligand_instance_id": "PDB:9KNB:LIG:C:A1EF7:502:.",
      "protein_id": "UP:O96028",
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      "source_role": "experimentally studied covalent ligand",
      "role_code": "reported_covalent_structural_ligand",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
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      "source_url": "https://www.rcsb.org/structure/9KNB",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "pdb_id": "9KNA",
      "ligand_instance_id": "PDB:9KNA:LIG:G:SO4:405:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "ion/additive",
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      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
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      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/9KNA",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
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    },
    {
      "site_id": "PDB:9KN9:LIG:F:SO4:401:.:SITE:UP:O96028:PWWP1:B",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
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      "pdb_id": "9KN9",
      "ligand_instance_id": "PDB:9KN9:LIG:F:SO4:401:.",
      "protein_id": "UP:O96028",
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      "source_role": "ion/additive",
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      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
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      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/9KN9",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9KN9:LIG:G:A1EF6:402:.:SITE:UP:O96028:PWWP1:B",
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      "pdb_id": "9KN9",
      "ligand_instance_id": "PDB:9KN9:LIG:G:A1EF6:402:.",
      "protein_id": "UP:O96028",
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      "source_role": "experimentally studied covalent ligand",
      "role_code": "reported_covalent_structural_ligand",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "ligand_instance_id": "PDB:5VC8:LIG:N:UNX:408:.",
      "protein_id": "UP:O96028",
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      "source_role": "unknown chemical component",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5VC8:LIG:P:UNX:410:.:SITE:UP:O96028:PWWP1:A",
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      "ligand_instance_id": "PDB:5VC8:LIG:P:UNX:410:.",
      "protein_id": "UP:O96028",
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      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "ligand_instance_id": "PDB:6UE6:LIG:K:UNX:2003:.",
      "protein_id": "UP:O96028",
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      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "ligand_instance_id": "PDB:5VC8:LIG:H:UNX:402:.",
      "protein_id": "UP:O96028",
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      "source_role": "unknown chemical component",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9KNA:LIG:F:GOL:404:.:SITE:UP:O96028:PWWP1:A",
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      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "cryoprotectant/additive",
      "role_code": "cryoprotectant",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
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      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/9KNA",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9KNA:LIG:L:EPE:404:.:SITE:UP:O96028:PWWP1:A",
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      "ligand_instance_id": "PDB:9KNA:LIG:L:EPE:404:.",
      "protein_id": "UP:O96028",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "verification_status": "phase5_derived_deposited_geometry",
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "role_group": "research_ligand",
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      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
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    },
    {
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "verification_status": "phase5_derived_deposited_geometry",
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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    },
    {
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      "source_url": "https://www.rcsb.org/structure/6XCG",
      "ccd_url": "https://www.rcsb.org/ligand/V01",
      "coordinate_sha256": "2c370701c9b83de7ae6137f91d2130519a48c261a93ec5bc480dfcc3bc982200",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5VC8:LIG:X:UNX:418:.:SITE:UP:O96028:PWWP1:A",
      "chemical_id": "CCD_UNRESOLVED:UNX",
      "compound_id": "CCD_UNRESOLVED:UNX",
      "pdb_id": "5VC8",
      "ligand_instance_id": "PDB:5VC8:LIG:X:UNX:418:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/5VC8",
      "ccd_url": "https://www.rcsb.org/ligand/UNX",
      "coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9EXY:LIG:C:A1H7Z:401:.:SITE:UP:O96028:PWWP1:A",
      "chemical_id": "INCHIKEY:GCVYFXYBQCKHCH-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:GCVYFXYBQCKHCH-UHFFFAOYSA-N",
      "pdb_id": "9EXY",
      "ligand_instance_id": "PDB:9EXY:LIG:C:A1H7Z:401:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "experimentally studied ligand",
      "role_code": "reported_studied_structural_ligand",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/9EXY",
      "ccd_url": "https://www.rcsb.org/ligand/A1H7Z",
      "coordinate_sha256": "382960834939565ee7a325beaae6b69cb75c4cd036997b619f4d7de8c11f05d3",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9EXW:LIG:E:A1H7X:403:.:SITE:UP:O96028:PWWP1:A",
      "chemical_id": "INCHIKEY:APUAYMXUHLOPLQ-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:APUAYMXUHLOPLQ-UHFFFAOYSA-N",
      "pdb_id": "9EXW",
      "ligand_instance_id": "PDB:9EXW:LIG:E:A1H7X:403:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "experimentally studied ligand",
      "role_code": "reported_studied_structural_ligand",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/9EXW",
      "ccd_url": "https://www.rcsb.org/ligand/A1H7X",
      "coordinate_sha256": "5932fc10a492b4fa2d43f84d90f222053026ed6b35a587f3dbacd80e6f4297f7",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9EXW:LIG:D:EDO:402:.:SITE:UP:O96028:PWWP1:A",
      "chemical_id": "INCHIKEY:LYCAIKOWRPUZTN-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:LYCAIKOWRPUZTN-UHFFFAOYSA-N",
      "pdb_id": "9EXW",
      "ligand_instance_id": "PDB:9EXW:LIG:D:EDO:402:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "cryoprotectant/additive",
      "role_code": "cryoprotectant",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/9EXW",
      "ccd_url": "https://www.rcsb.org/ligand/EDO",
      "coordinate_sha256": "5932fc10a492b4fa2d43f84d90f222053026ed6b35a587f3dbacd80e6f4297f7",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9EXX:LIG:E:A1H7Y:403:.:SITE:UP:O96028:PWWP1:A",
      "chemical_id": "INCHIKEY:IRSPYYYZACJWSE-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:IRSPYYYZACJWSE-UHFFFAOYSA-N",
      "pdb_id": "9EXX",
      "ligand_instance_id": "PDB:9EXX:LIG:E:A1H7Y:403:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "experimentally studied ligand",
      "role_code": "reported_studied_structural_ligand",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/9EXX",
      "ccd_url": "https://www.rcsb.org/ligand/A1H7Y",
      "coordinate_sha256": "4ef651cb3bade2458fffbd850521dfbd402b610696c1497284792c0f1355d126",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9EXX:LIG:F:EDO:401:.:SITE:UP:O96028:PWWP1:A",
      "chemical_id": "INCHIKEY:LYCAIKOWRPUZTN-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:LYCAIKOWRPUZTN-UHFFFAOYSA-N",
      "pdb_id": "9EXX",
      "ligand_instance_id": "PDB:9EXX:LIG:F:EDO:401:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "cryoprotectant/additive",
      "role_code": "cryoprotectant",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/9EXX",
      "ccd_url": "https://www.rcsb.org/ligand/EDO",
      "coordinate_sha256": "4ef651cb3bade2458fffbd850521dfbd402b610696c1497284792c0f1355d126",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9EXX:LIG:G:EDO:402:.:SITE:UP:O96028:PWWP1:A",
      "chemical_id": "INCHIKEY:LYCAIKOWRPUZTN-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:LYCAIKOWRPUZTN-UHFFFAOYSA-N",
      "pdb_id": "9EXX",
      "ligand_instance_id": "PDB:9EXX:LIG:G:EDO:402:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "cryoprotectant/additive",
      "role_code": "cryoprotectant",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/9EXX",
      "ccd_url": "https://www.rcsb.org/ligand/EDO",
      "coordinate_sha256": "4ef651cb3bade2458fffbd850521dfbd402b610696c1497284792c0f1355d126",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9FOC:LIG:D:A1IEG:402:.:SITE:UP:O96028:PWWP1:A",
      "chemical_id": "INCHIKEY:FPDVOQXTUVFQHW-KBPBESRZSA-N",
      "compound_id": "INCHIKEY:FPDVOQXTUVFQHW-KBPBESRZSA-N",
      "pdb_id": "9FOC",
      "ligand_instance_id": "PDB:9FOC:LIG:D:A1IEG:402:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "experimentally studied ligand",
      "role_code": "reported_studied_structural_ligand",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/9FOC",
      "ccd_url": "https://www.rcsb.org/ligand/A1IEG",
      "coordinate_sha256": "8ae5d68a73d09d1007d3171e7649074a9b67184d587435cc50eba2241f68c269",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9EXW:LIG:C:EDO:401:.:SITE:UP:O96028:PWWP1:A",
      "chemical_id": "INCHIKEY:LYCAIKOWRPUZTN-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:LYCAIKOWRPUZTN-UHFFFAOYSA-N",
      "pdb_id": "9EXW",
      "ligand_instance_id": "PDB:9EXW:LIG:C:EDO:401:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "cryoprotectant/additive",
      "role_code": "cryoprotectant",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/9EXW",
      "ccd_url": "https://www.rcsb.org/ligand/EDO",
      "coordinate_sha256": "5932fc10a492b4fa2d43f84d90f222053026ed6b35a587f3dbacd80e6f4297f7",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9FOC:LIG:C:A1IFS:401:.:SITE:UP:O96028:PWWP1:A",
      "chemical_id": "INCHIKEY:FPDVOQXTUVFQHW-KGLIPLIRSA-N",
      "compound_id": "INCHIKEY:FPDVOQXTUVFQHW-KGLIPLIRSA-N",
      "pdb_id": "9FOC",
      "ligand_instance_id": "PDB:9FOC:LIG:C:A1IFS:401:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "experimentally studied ligand",
      "role_code": "reported_studied_structural_ligand",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/9FOC",
      "ccd_url": "https://www.rcsb.org/ligand/A1IFS",
      "coordinate_sha256": "8ae5d68a73d09d1007d3171e7649074a9b67184d587435cc50eba2241f68c269",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9FOE:LIG:B:A1IEF:401:.:SITE:UP:O96028:PWWP1:A",
      "chemical_id": "INCHIKEY:HHACEXLLNHJLFT-INIZCTEOSA-N",
      "compound_id": "INCHIKEY:HHACEXLLNHJLFT-INIZCTEOSA-N",
      "pdb_id": "9FOE",
      "ligand_instance_id": "PDB:9FOE:LIG:B:A1IEF:401:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "experimentally studied ligand",
      "role_code": "reported_studied_structural_ligand",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/9FOE",
      "ccd_url": "https://www.rcsb.org/ligand/A1IEF",
      "coordinate_sha256": "f2b013ad297bf526cad83328b7e95e1b56e2e8ecd819ac082835ffadc0108034",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9Y61:LIG:C:A1CSQ:4000:.:SITE:UP:O96028:PWWP1:A",
      "chemical_id": "INCHIKEY:LDKYLKMCPUFNTL-PJTQZDKOSA-N",
      "compound_id": "INCHIKEY:LDKYLKMCPUFNTL-PJTQZDKOSA-N",
      "pdb_id": "9Y61",
      "ligand_instance_id": "PDB:9Y61:LIG:C:A1CSQ:4000:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "experimentally studied degrader",
      "role_code": "reported_degrader_structural_ligand",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/9Y61",
      "ccd_url": "https://www.rcsb.org/ligand/A1CSQ",
      "coordinate_sha256": "5205373a6fdf371bbd5e46ee7386aa47865eefdad8f6e3ea8462b6d0ada2bf94",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5NRS:LIG:E:962:403:.:SITE:UP:Q9UBC3:PWWP1:A",
      "chemical_id": "INCHIKEY:HHKUQCFQGCCLGA-YUMQZZPRSA-N",
      "compound_id": "INCHIKEY:HHKUQCFQGCCLGA-YUMQZZPRSA-N",
      "pdb_id": "5NRS",
      "ligand_instance_id": "PDB:5NRS:LIG:E:962:403:.",
      "protein_id": "UP:Q9UBC3",
      "domain_id": "UP:Q9UBC3:PWWP1",
      "source_role": "experimentally deposited ligand",
      "role_code": "deposited_research_ligand",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/5NRS",
      "ccd_url": "https://www.rcsb.org/ligand/962",
      "coordinate_sha256": "a9f3140c8fe61aee17ed09b3c67bc8a7bda6fe726e5e5eb80203676d4492f602",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5NV2:LIG:C:9AE:401:.:SITE:UP:Q9UBC3:PWWP1:A",
      "chemical_id": "INCHIKEY:NKGYBXHAQAKSSG-NSHDSACASA-N",
      "compound_id": "INCHIKEY:NKGYBXHAQAKSSG-NSHDSACASA-N",
      "pdb_id": "5NV2",
      "ligand_instance_id": "PDB:5NV2:LIG:C:9AE:401:.",
      "protein_id": "UP:Q9UBC3",
      "domain_id": "UP:Q9UBC3:PWWP1",
      "source_role": "experimentally deposited ligand",
      "role_code": "deposited_research_ligand",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/5NV2",
      "ccd_url": "https://www.rcsb.org/ligand/9AE",
      "coordinate_sha256": "90c69902789421dcb9c6982f74df193641fd6d84bf5163de125de814878ab7b1",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5NRV:LIG:J:96K:401:.:SITE:UP:Q9UBC3:PWWP1:B",
      "chemical_id": "INCHIKEY:NGLYVCQIAOHIJE-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:NGLYVCQIAOHIJE-UHFFFAOYSA-N",
      "pdb_id": "5NRV",
      "ligand_instance_id": "PDB:5NRV:LIG:J:96K:401:.",
      "protein_id": "UP:Q9UBC3",
      "domain_id": "UP:Q9UBC3:PWWP1",
      "source_role": "experimentally deposited ligand",
      "role_code": "deposited_research_ligand",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/5NRV",
      "ccd_url": "https://www.rcsb.org/ligand/96K",
      "coordinate_sha256": "d069ff65539e46f88b81c09ce8b540b38d9403ad77689dc00093cd38d90162bf",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9KNA:LIG:E:SO4:403:.:SITE:UP:O96028:PWWP1:A",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "9KNA",
      "ligand_instance_id": "PDB:9KNA:LIG:E:SO4:403:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/9KNA",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "21757b20303ea68cd50bffdfa7659337c135d9e7492ac4d656b0f3f865cfdacf",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9KNA:LIG:C:6Y3:401:.:SITE:UP:O96028:PWWP1:A",
      "chemical_id": "INCHIKEY:MAEAMJWLVXANNO-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:MAEAMJWLVXANNO-UHFFFAOYSA-N",
      "pdb_id": "9KNA",
      "ligand_instance_id": "PDB:9KNA:LIG:C:6Y3:401:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "experimentally studied covalent ligand",
      "role_code": "reported_covalent_structural_ligand",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/9KNA",
      "ccd_url": "https://www.rcsb.org/ligand/6Y3",
      "coordinate_sha256": "21757b20303ea68cd50bffdfa7659337c135d9e7492ac4d656b0f3f865cfdacf",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5NR3:LIG:E:SO4:403:.:SITE:UP:Q9UBC3:PWWP1:A",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "5NR3",
      "ligand_instance_id": "PDB:5NR3:LIG:E:SO4:403:.",
      "protein_id": "UP:Q9UBC3",
      "domain_id": "UP:Q9UBC3:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/5NR3",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "44a1bc37a1ec9502897975301189695e250abc526861869774ca6a1d0adc0dab",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5NRR:LIG:E:SO4:403:.:SITE:UP:Q9UBC3:PWWP1:A",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "5NRR",
      "ligand_instance_id": "PDB:5NRR:LIG:E:SO4:403:.",
      "protein_id": "UP:Q9UBC3",
      "domain_id": "UP:Q9UBC3:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/5NRR",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "ab09d824a29b987279f6178899a03ddb8e496509769ce2e3558b670c6826e1e0",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5NV2:LIG:G:SO4:405:.:SITE:UP:Q9UBC3:PWWP1:A",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "5NV2",
      "ligand_instance_id": "PDB:5NV2:LIG:G:SO4:405:.",
      "protein_id": "UP:Q9UBC3",
      "domain_id": "UP:Q9UBC3:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/5NV2",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "90c69902789421dcb9c6982f74df193641fd6d84bf5163de125de814878ab7b1",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5NVO:LIG:I:SO4:407:.:SITE:UP:Q9UBC3:PWWP1:A",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "5NVO",
      "ligand_instance_id": "PDB:5NVO:LIG:I:SO4:407:.",
      "protein_id": "UP:Q9UBC3",
      "domain_id": "UP:Q9UBC3:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/5NVO",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "2064abc26e049d5b45a8e32a53fa1536f42e4d3017076d719e8a29a5a6b4ae9c",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5NV0:LIG:F:SO4:404:.:SITE:UP:Q9UBC3:PWWP1:A",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "5NV0",
      "ligand_instance_id": "PDB:5NV0:LIG:F:SO4:404:.",
      "protein_id": "UP:Q9UBC3",
      "domain_id": "UP:Q9UBC3:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/5NV0",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "22acb380ed92e41a32434c5fca7f97c6ac12d30f80023a184e6f74d1dfff3729",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5NRV:LIG:K:SO4:402:.:SITE:UP:Q9UBC3:PWWP1:B",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "5NRV",
      "ligand_instance_id": "PDB:5NRV:LIG:K:SO4:402:.",
      "protein_id": "UP:Q9UBC3",
      "domain_id": "UP:Q9UBC3:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/5NRV",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "d069ff65539e46f88b81c09ce8b540b38d9403ad77689dc00093cd38d90162bf",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:1KHC:LIG:M:UNX:174:.:SITE:UP:O88509:PWWP1:A",
      "chemical_id": "CCD_UNRESOLVED:UNX",
      "compound_id": "CCD_UNRESOLVED:UNX",
      "pdb_id": "1KHC",
      "ligand_instance_id": "PDB:1KHC:LIG:M:UNX:174:.",
      "protein_id": "UP:O88509",
      "domain_id": "UP:O88509:PWWP1",
      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/1KHC",
      "ccd_url": "https://www.rcsb.org/ligand/UNX",
      "coordinate_sha256": "74e6ef75c14272818121a250f29daee64bb2485d0fdf784911795a3d408e79d7",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5NV0:LIG:C:9AH:401:.:SITE:UP:Q9UBC3:PWWP1:A",
      "chemical_id": "INCHIKEY:FLJPZKPNJVGMHO-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:FLJPZKPNJVGMHO-UHFFFAOYSA-N",
      "pdb_id": "5NV0",
      "ligand_instance_id": "PDB:5NV0:LIG:C:9AH:401:.",
      "protein_id": "UP:Q9UBC3",
      "domain_id": "UP:Q9UBC3:PWWP1",
      "source_role": "experimentally deposited ligand",
      "role_code": "deposited_research_ligand",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/5NV0",
      "ccd_url": "https://www.rcsb.org/ligand/9AH",
      "coordinate_sha256": "22acb380ed92e41a32434c5fca7f97c6ac12d30f80023a184e6f74d1dfff3729",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5NR3:LIG:C:95E:401:.:SITE:UP:Q9UBC3:PWWP1:A",
      "chemical_id": "INCHIKEY:AEUTYOVWOVBAKS-UWVGGRQHSA-N",
      "compound_id": "INCHIKEY:AEUTYOVWOVBAKS-UWVGGRQHSA-N",
      "pdb_id": "5NR3",
      "ligand_instance_id": "PDB:5NR3:LIG:C:95E:401:.",
      "protein_id": "UP:Q9UBC3",
      "domain_id": "UP:Q9UBC3:PWWP1",
      "source_role": "experimentally deposited ligand",
      "role_code": "deposited_research_ligand",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/5NR3",
      "ccd_url": "https://www.rcsb.org/ligand/95E",
      "coordinate_sha256": "44a1bc37a1ec9502897975301189695e250abc526861869774ca6a1d0adc0dab",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5NRR:LIG:C:96E:401:.:SITE:UP:Q9UBC3:PWWP1:A",
      "chemical_id": "INCHIKEY:XJBJEDGBRSPREH-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:XJBJEDGBRSPREH-UHFFFAOYSA-N",
      "pdb_id": "5NRR",
      "ligand_instance_id": "PDB:5NRR:LIG:C:96E:401:.",
      "protein_id": "UP:Q9UBC3",
      "domain_id": "UP:Q9UBC3:PWWP1",
      "source_role": "experimentally deposited ligand",
      "role_code": "deposited_research_ligand",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/5NRR",
      "ccd_url": "https://www.rcsb.org/ligand/96E",
      "coordinate_sha256": "ab09d824a29b987279f6178899a03ddb8e496509769ce2e3558b670c6826e1e0",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5CIU:LIG:D:M3L:36:9:SITE:UP:Q9UBC3:PWWP1:A",
      "chemical_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O",
      "compound_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O",
      "pdb_id": "5CIU",
      "ligand_instance_id": "PDB:5CIU:LIG:D:M3L:36:9",
      "protein_id": "UP:Q9UBC3",
      "domain_id": "UP:Q9UBC3:PWWP1",
      "source_role": null,
      "role_code": "unclassified_biological_component",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/5CIU",
      "ccd_url": "https://www.rcsb.org/ligand/M3L",
      "coordinate_sha256": "0759e722499aa9a96aa5e738fbd6773e6535ed24b783f5096eca6b85b40bfbb6",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5NVO:LIG:C:CHT:401:.:SITE:UP:Q9UBC3:PWWP1:A",
      "chemical_id": "INCHIKEY:OEYIOHPDSNJKLS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:OEYIOHPDSNJKLS-UHFFFAOYSA-N",
      "pdb_id": "5NVO",
      "ligand_instance_id": "PDB:5NVO:LIG:C:CHT:401:.",
      "protein_id": "UP:Q9UBC3",
      "domain_id": "UP:Q9UBC3:PWWP1",
      "source_role": "experimentally deposited ligand",
      "role_code": "deposited_research_ligand",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/5NVO",
      "ccd_url": "https://www.rcsb.org/ligand/CHT",
      "coordinate_sha256": "2064abc26e049d5b45a8e32a53fa1536f42e4d3017076d719e8a29a5a6b4ae9c",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5NV7:LIG:C:9AK:401:.:SITE:UP:Q9UBC3:PWWP1:A",
      "chemical_id": "INCHIKEY:OEDKOOAJXTXCQZ-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:OEDKOOAJXTXCQZ-UHFFFAOYSA-N",
      "pdb_id": "5NV7",
      "ligand_instance_id": "PDB:5NV7:LIG:C:9AK:401:.",
      "protein_id": "UP:Q9UBC3",
      "domain_id": "UP:Q9UBC3:PWWP1",
      "source_role": "experimentally deposited ligand",
      "role_code": "deposited_research_ligand",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/5NV7",
      "ccd_url": "https://www.rcsb.org/ligand/9AK",
      "coordinate_sha256": "ab98f5d00f60fe78b9b0cc391381b550dca1ff8f496b469a7bc4dab2c5e66875",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:3QKJ:LIG:E:BTB:356:.:SITE:UP:Q9UBC3:PWWP1:A",
      "chemical_id": "INCHIKEY:OWMVSZAMULFTJU-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:OWMVSZAMULFTJU-UHFFFAOYSA-N",
      "pdb_id": "3QKJ",
      "ligand_instance_id": "PDB:3QKJ:LIG:E:BTB:356:.",
      "protein_id": "UP:Q9UBC3",
      "domain_id": "UP:Q9UBC3:PWWP1",
      "source_role": "buffer/additive",
      "role_code": "buffer_component",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/3QKJ",
      "ccd_url": "https://www.rcsb.org/ligand/BTB",
      "coordinate_sha256": "e94a2082f64ba107b7c13187a1af6dc528db6e5340be742ad57500d752199174",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:6UE6:LIG:T:UNX:2002:.:SITE:UP:O96028:PWWP1:A",
      "chemical_id": "CCD_UNRESOLVED:UNX",
      "compound_id": "CCD_UNRESOLVED:UNX",
      "pdb_id": "6UE6",
      "ligand_instance_id": "PDB:6UE6:LIG:T:UNX:2002:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/6UE6",
      "ccd_url": "https://www.rcsb.org/ligand/UNX",
      "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5NVO:LIG:H:SO4:406:.:SITE:UP:Q9UBC3:PWWP1:A",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "5NVO",
      "ligand_instance_id": "PDB:5NVO:LIG:H:SO4:406:.",
      "protein_id": "UP:Q9UBC3",
      "domain_id": "UP:Q9UBC3:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/5NVO",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "2064abc26e049d5b45a8e32a53fa1536f42e4d3017076d719e8a29a5a6b4ae9c",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5NV0:LIG:H:SO4:406:.:SITE:UP:Q9UBC3:PWWP1:A",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "5NV0",
      "ligand_instance_id": "PDB:5NV0:LIG:H:SO4:406:.",
      "protein_id": "UP:Q9UBC3",
      "domain_id": "UP:Q9UBC3:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/5NV0",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "22acb380ed92e41a32434c5fca7f97c6ac12d30f80023a184e6f74d1dfff3729",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9KNA:LIG:H:SO4:406:.:SITE:UP:O96028:PWWP1:A",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "9KNA",
      "ligand_instance_id": "PDB:9KNA:LIG:H:SO4:406:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/9KNA",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "21757b20303ea68cd50bffdfa7659337c135d9e7492ac4d656b0f3f865cfdacf",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9EXX:LIG:D:EOH:402:.:SITE:UP:O96028:PWWP1:A",
      "chemical_id": "INCHIKEY:LFQSCWFLJHTTHZ-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:LFQSCWFLJHTTHZ-UHFFFAOYSA-N",
      "pdb_id": "9EXX",
      "ligand_instance_id": "PDB:9EXX:LIG:D:EOH:402:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "solvent",
      "role_code": "solvent",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/9EXX",
      "ccd_url": "https://www.rcsb.org/ligand/EOH",
      "coordinate_sha256": "4ef651cb3bade2458fffbd850521dfbd402b610696c1497284792c0f1355d126",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9KNA:LIG:K:GOL:403:.:SITE:UP:O96028:PWWP1:A",
      "chemical_id": "INCHIKEY:PEDCQBHIVMGVHV-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PEDCQBHIVMGVHV-UHFFFAOYSA-N",
      "pdb_id": "9KNA",
      "ligand_instance_id": "PDB:9KNA:LIG:K:GOL:403:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "cryoprotectant/additive",
      "role_code": "cryoprotectant",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/9KNA",
      "ccd_url": "https://www.rcsb.org/ligand/GOL",
      "coordinate_sha256": "21757b20303ea68cd50bffdfa7659337c135d9e7492ac4d656b0f3f865cfdacf",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9KNA:LIG:I:6Y3:401:.:SITE:UP:O96028:PWWP1:A",
      "chemical_id": "INCHIKEY:MAEAMJWLVXANNO-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:MAEAMJWLVXANNO-UHFFFAOYSA-N",
      "pdb_id": "9KNA",
      "ligand_instance_id": "PDB:9KNA:LIG:I:6Y3:401:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "experimentally studied covalent ligand",
      "role_code": "reported_covalent_structural_ligand",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/9KNA",
      "ccd_url": "https://www.rcsb.org/ligand/6Y3",
      "coordinate_sha256": "21757b20303ea68cd50bffdfa7659337c135d9e7492ac4d656b0f3f865cfdacf",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:1KHC:LIG:K:UNX:172:.:SITE:UP:O88509:PWWP1:A",
      "chemical_id": "CCD_UNRESOLVED:UNX",
      "compound_id": "CCD_UNRESOLVED:UNX",
      "pdb_id": "1KHC",
      "ligand_instance_id": "PDB:1KHC:LIG:K:UNX:172:.",
      "protein_id": "UP:O88509",
      "domain_id": "UP:O88509:PWWP1",
      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/1KHC",
      "ccd_url": "https://www.rcsb.org/ligand/UNX",
      "coordinate_sha256": "74e6ef75c14272818121a250f29daee64bb2485d0fdf784911795a3d408e79d7",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:1KHC:LIG:L:UNX:173:.:SITE:UP:O88509:PWWP1:A",
      "chemical_id": "CCD_UNRESOLVED:UNX",
      "compound_id": "CCD_UNRESOLVED:UNX",
      "pdb_id": "1KHC",
      "ligand_instance_id": "PDB:1KHC:LIG:L:UNX:173:.",
      "protein_id": "UP:O88509",
      "domain_id": "UP:O88509:PWWP1",
      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/1KHC",
      "ccd_url": "https://www.rcsb.org/ligand/UNX",
      "coordinate_sha256": "74e6ef75c14272818121a250f29daee64bb2485d0fdf784911795a3d408e79d7",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5NR3:LIG:F:SO4:404:.:SITE:UP:Q9UBC3:PWWP1:A",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "5NR3",
      "ligand_instance_id": "PDB:5NR3:LIG:F:SO4:404:.",
      "protein_id": "UP:Q9UBC3",
      "domain_id": "UP:Q9UBC3:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/5NR3",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "44a1bc37a1ec9502897975301189695e250abc526861869774ca6a1d0adc0dab",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5VC8:LIG:U:UNX:415:.:SITE:UP:O96028:PWWP1:A",
      "chemical_id": "CCD_UNRESOLVED:UNX",
      "compound_id": "CCD_UNRESOLVED:UNX",
      "pdb_id": "5VC8",
      "ligand_instance_id": "PDB:5VC8:LIG:U:UNX:415:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/5VC8",
      "ccd_url": "https://www.rcsb.org/ligand/UNX",
      "coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HHF:LIG:F:EDO:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:LYCAIKOWRPUZTN-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:LYCAIKOWRPUZTN-UHFFFAOYSA-N",
      "pdb_id": "7HHF",
      "ligand_instance_id": "PDB:7HHF:LIG:F:EDO:103:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "cryoprotectant/additive",
      "role_code": "cryoprotectant",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/7HHF",
      "ccd_url": "https://www.rcsb.org/ligand/EDO",
      "coordinate_sha256": "713b30775d7e5194ba3487e09e70f0b6b4cc85fe884ea835f44ef6d740f52059",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HHI:LIG:F:EDO:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:LYCAIKOWRPUZTN-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:LYCAIKOWRPUZTN-UHFFFAOYSA-N",
      "pdb_id": "7HHI",
      "ligand_instance_id": "PDB:7HHI:LIG:F:EDO:103:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "cryoprotectant/additive",
      "role_code": "cryoprotectant",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/7HHI",
      "ccd_url": "https://www.rcsb.org/ligand/EDO",
      "coordinate_sha256": "e04aec54f564bf2396912573e1b5eada70aafb996909843e818bb885e0906dfc",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HH2:LIG:F:EDO:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:LYCAIKOWRPUZTN-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:LYCAIKOWRPUZTN-UHFFFAOYSA-N",
      "pdb_id": "7HH2",
      "ligand_instance_id": "PDB:7HH2:LIG:F:EDO:103:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "cryoprotectant/additive",
      "role_code": "cryoprotectant",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
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      "ccd_url": "https://www.rcsb.org/ligand/EDO",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9G96:LIG:C:EDO:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:LYCAIKOWRPUZTN-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:LYCAIKOWRPUZTN-UHFFFAOYSA-N",
      "pdb_id": "9G96",
      "ligand_instance_id": "PDB:9G96:LIG:C:EDO:101:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "cryoprotectant/additive",
      "role_code": "cryoprotectant",
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      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
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      "ccd_url": "https://www.rcsb.org/ligand/EDO",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HH8:LIG:F:EDO:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:LYCAIKOWRPUZTN-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:LYCAIKOWRPUZTN-UHFFFAOYSA-N",
      "pdb_id": "7HH8",
      "ligand_instance_id": "PDB:7HH8:LIG:F:EDO:103:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "cryoprotectant/additive",
      "role_code": "cryoprotectant",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
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      "ccd_url": "https://www.rcsb.org/ligand/EDO",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HG7:LIG:F:EDO:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:LYCAIKOWRPUZTN-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:LYCAIKOWRPUZTN-UHFFFAOYSA-N",
      "pdb_id": "7HG7",
      "ligand_instance_id": "PDB:7HG7:LIG:F:EDO:103:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "cryoprotectant/additive",
      "role_code": "cryoprotectant",
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      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
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      "ccd_url": "https://www.rcsb.org/ligand/EDO",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HG2:LIG:F:EDO:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:LYCAIKOWRPUZTN-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:LYCAIKOWRPUZTN-UHFFFAOYSA-N",
      "pdb_id": "7HG2",
      "ligand_instance_id": "PDB:7HG2:LIG:F:EDO:103:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "cryoprotectant/additive",
      "role_code": "cryoprotectant",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
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      "structural_research_ligand": false,
      "observed_other_component": true,
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HHR:LIG:F:EDO:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:LYCAIKOWRPUZTN-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:LYCAIKOWRPUZTN-UHFFFAOYSA-N",
      "pdb_id": "7HHR",
      "ligand_instance_id": "PDB:7HHR:LIG:F:EDO:103:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "cryoprotectant/additive",
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      "exact_pwwp_contact": true,
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HHO:LIG:F:EDO:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:LYCAIKOWRPUZTN-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:LYCAIKOWRPUZTN-UHFFFAOYSA-N",
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      "ligand_instance_id": "PDB:7HHO:LIG:F:EDO:103:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "cryoprotectant/additive",
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      "exact_pwwp_contact": true,
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      "ccd_url": "https://www.rcsb.org/ligand/EDO",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGV:LIG:F:EDO:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:LYCAIKOWRPUZTN-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:LYCAIKOWRPUZTN-UHFFFAOYSA-N",
      "pdb_id": "7HGV",
      "ligand_instance_id": "PDB:7HGV:LIG:F:EDO:103:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "cryoprotectant/additive",
      "role_code": "cryoprotectant",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
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      "ccd_url": "https://www.rcsb.org/ligand/EDO",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
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    {
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    {
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    {
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    {
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    {
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    {
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    {
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    {
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    },
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    {
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    {
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    {
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    {
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    {
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      "source_role": "cryoprotectant/additive",
      "role_code": "cryoprotectant",
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      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGS:LIG:F:EDO:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:LYCAIKOWRPUZTN-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:LYCAIKOWRPUZTN-UHFFFAOYSA-N",
      "pdb_id": "7HGS",
      "ligand_instance_id": "PDB:7HGS:LIG:F:EDO:103:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "cryoprotectant/additive",
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      "ccd_url": "https://www.rcsb.org/ligand/EDO",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGE:LIG:F:EDO:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:LYCAIKOWRPUZTN-UHFFFAOYSA-N",
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      "pdb_id": "7HGE",
      "ligand_instance_id": "PDB:7HGE:LIG:F:EDO:103:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
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      "ccd_url": "https://www.rcsb.org/ligand/EDO",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGJ:LIG:F:EDO:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:LYCAIKOWRPUZTN-UHFFFAOYSA-N",
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      "pdb_id": "7HGJ",
      "ligand_instance_id": "PDB:7HGJ:LIG:F:EDO:103:.",
      "protein_id": "UP:Q7Z4V5",
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      "source_role": "cryoprotectant/additive",
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      "exact_pwwp_contact": true,
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      "ccd_url": "https://www.rcsb.org/ligand/EDO",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9I7F:LIG:H:EDO:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:LYCAIKOWRPUZTN-UHFFFAOYSA-N",
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      "ligand_instance_id": "PDB:9I7F:LIG:H:EDO:102:.",
      "protein_id": "UP:Q7Z4V5",
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      "source_role": "cryoprotectant/additive",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGZ:LIG:F:EDO:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:LYCAIKOWRPUZTN-UHFFFAOYSA-N",
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      "ligand_instance_id": "PDB:7HGZ:LIG:F:EDO:103:.",
      "protein_id": "UP:Q7Z4V5",
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      "source_role": "cryoprotectant/additive",
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      "verification_status": "phase5_derived_deposited_geometry",
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9I7D:LIG:F:SO4:204:.:SITE:UP:Q7Z4V5:PWWP1:A",
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      "ligand_instance_id": "PDB:9I7D:LIG:F:SO4:204:.",
      "protein_id": "UP:Q7Z4V5",
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      "source_role": "ion/additive",
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:3LLR:LIG:F:BTB:154:.:SITE:UP:Q9Y6K1:PWWP1:A",
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      "compound_id": "INCHIKEY:OWMVSZAMULFTJU-UHFFFAOYSA-N",
      "pdb_id": "3LLR",
      "ligand_instance_id": "PDB:3LLR:LIG:F:BTB:154:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "buffer/additive",
      "role_code": "buffer_component",
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5NVO:LIG:G:SO4:405:.:SITE:UP:Q9UBC3:PWWP1:A",
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      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
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      "ligand_instance_id": "PDB:5NVO:LIG:G:SO4:405:.",
      "protein_id": "UP:Q9UBC3",
      "domain_id": "UP:Q9UBC3:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
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      "exact_pwwp_contact": true,
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      "observed_other_component": true,
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5NV0:LIG:G:SO4:405:.:SITE:UP:Q9UBC3:PWWP1:A",
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      "ligand_instance_id": "PDB:5NV0:LIG:G:SO4:405:.",
      "protein_id": "UP:Q9UBC3",
      "domain_id": "UP:Q9UBC3:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "ligand_instance_id": "PDB:5VC8:LIG:G:UNX:401:.",
      "protein_id": "UP:O96028",
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      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
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      "verification_status": "phase5_derived_deposited_geometry",
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5NR3:LIG:D:SO4:402:.:SITE:UP:Q9UBC3:PWWP1:A",
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      "ligand_instance_id": "PDB:5NR3:LIG:D:SO4:402:.",
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      "source_role": "ion/additive",
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      "verification_status": "phase5_derived_deposited_geometry",
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "source_role": "ion/additive",
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      "verification_status": "phase5_derived_deposited_geometry",
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "ligand_instance_id": "PDB:5NRS:LIG:D:SO4:402:.",
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      "ccd_url": "https://www.rcsb.org/ligand/SO4",
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      "verification_status": "phase5_derived_deposited_geometry",
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5NRR:LIG:D:SO4:402:.:SITE:UP:Q9UBC3:PWWP1:A",
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      "ligand_instance_id": "PDB:5NRR:LIG:D:SO4:402:.",
      "protein_id": "UP:Q9UBC3",
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      "source_role": "ion/additive",
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      "observed_other_component": true,
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      "ccd_url": "https://www.rcsb.org/ligand/SO4",
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      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5NV0:LIG:D:SO4:402:.:SITE:UP:Q9UBC3:PWWP1:A",
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      "protein_id": "UP:Q9UBC3",
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      "source_role": "ion/additive",
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      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/5NV0",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
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      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5NV7:LIG:E:SO4:403:.:SITE:UP:Q9UBC3:PWWP1:A",
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      "ligand_instance_id": "PDB:5NV7:LIG:E:SO4:403:.",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5NRV:LIG:N:SO4:405:.:SITE:UP:Q9UBC3:PWWP1:B",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
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      "pdb_id": "5NRV",
      "ligand_instance_id": "PDB:5NRV:LIG:N:SO4:405:.",
      "protein_id": "UP:Q9UBC3",
      "domain_id": "UP:Q9UBC3:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5NRV:LIG:M:SO4:404:.:SITE:UP:Q9UBC3:PWWP1:B",
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      "ligand_instance_id": "PDB:5NRV:LIG:M:SO4:404:.",
      "protein_id": "UP:Q9UBC3",
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      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
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      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/5NRV",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "ligand_instance_id": "PDB:9KNA:LIG:J:SO4:402:.",
      "protein_id": "UP:O96028",
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      "source_role": "ion/additive",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9KNA:LIG:M:SO4:405:.:SITE:UP:O96028:PWWP1:A",
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      "ligand_instance_id": "PDB:9KNA:LIG:M:SO4:405:.",
      "protein_id": "UP:O96028",
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      "source_role": "ion/additive",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
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    },
    {
      "site_id": "PDB:5VC8:LIG:W:UNX:417:.:SITE:UP:O96028:PWWP1:A",
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      "protein_id": "UP:O96028",
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      "source_role": "unknown chemical component",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9EXX:LIG:I:EOH:404:.:SITE:UP:O96028:PWWP1:A",
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      "protein_id": "UP:O96028",
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      "source_role": "solvent",
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      "contact_class": "native_annotation_core_contact",
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      "source_url": "https://www.rcsb.org/structure/9EXX",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:6UE6:LIG:J:UNX:2002:.:SITE:UP:O96028:PWWP1:A",
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      "ligand_instance_id": "PDB:6UE6:LIG:J:UNX:2002:.",
      "protein_id": "UP:O96028",
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      "source_role": "unknown chemical component",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5VC8:LIG:V:UNX:416:.:SITE:UP:O96028:PWWP1:A",
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      "ligand_instance_id": "PDB:5VC8:LIG:V:UNX:416:.",
      "protein_id": "UP:O96028",
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      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5NRV:LIG:I:SO4:407:.:SITE:UP:Q9UBC3:PWWP1:B",
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      "ligand_instance_id": "PDB:5NRV:LIG:I:SO4:407:.",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5VC8:LIG:Q:UNX:411:.:SITE:UP:O96028:PWWP1:A",
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      "source_role": "unknown chemical component",
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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    },
    {
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    },
    {
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    },
    {
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    },
    {
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    },
    {
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      "contact_class": "native_annotation_core_contact",
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      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/9EXX",
      "ccd_url": "https://www.rcsb.org/ligand/EDO",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:1KHC:LIG:B:UNX:163:.:SITE:UP:O88509:PWWP1:A",
      "chemical_id": "CCD_UNRESOLVED:UNX",
      "compound_id": "CCD_UNRESOLVED:UNX",
      "pdb_id": "1KHC",
      "ligand_instance_id": "PDB:1KHC:LIG:B:UNX:163:.",
      "protein_id": "UP:O88509",
      "domain_id": "UP:O88509:PWWP1",
      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/1KHC",
      "ccd_url": "https://www.rcsb.org/ligand/UNX",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:1KHC:LIG:C:UNX:164:.:SITE:UP:O88509:PWWP1:A",
      "chemical_id": "CCD_UNRESOLVED:UNX",
      "compound_id": "CCD_UNRESOLVED:UNX",
      "pdb_id": "1KHC",
      "ligand_instance_id": "PDB:1KHC:LIG:C:UNX:164:.",
      "protein_id": "UP:O88509",
      "domain_id": "UP:O88509:PWWP1",
      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/1KHC",
      "ccd_url": "https://www.rcsb.org/ligand/UNX",
      "coordinate_sha256": "74e6ef75c14272818121a250f29daee64bb2485d0fdf784911795a3d408e79d7",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:6UE6:LIG:M:UNX:2005:.:SITE:UP:O96028:PWWP1:A",
      "chemical_id": "CCD_UNRESOLVED:UNX",
      "compound_id": "CCD_UNRESOLVED:UNX",
      "pdb_id": "6UE6",
      "ligand_instance_id": "PDB:6UE6:LIG:M:UNX:2005:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "native_annotation_core_contact",
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      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/6UE6",
      "ccd_url": "https://www.rcsb.org/ligand/UNX",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5NV2:LIG:J:SO4:402:.:SITE:UP:Q9UBC3:PWWP1:A",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "5NV2",
      "ligand_instance_id": "PDB:5NV2:LIG:J:SO4:402:.",
      "protein_id": "UP:Q9UBC3",
      "domain_id": "UP:Q9UBC3:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
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      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
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      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/5NV2",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5NRR:LIG:I:SO4:403:.:SITE:UP:Q9UBC3:PWWP1:A",
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      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "5NRR",
      "ligand_instance_id": "PDB:5NRR:LIG:I:SO4:403:.",
      "protein_id": "UP:Q9UBC3",
      "domain_id": "UP:Q9UBC3:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
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      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/5NRR",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5NV0:LIG:L:SO4:404:.:SITE:UP:Q9UBC3:PWWP1:A",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "5NV0",
      "ligand_instance_id": "PDB:5NV0:LIG:L:SO4:404:.",
      "protein_id": "UP:Q9UBC3",
      "domain_id": "UP:Q9UBC3:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
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      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
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      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/5NV0",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5NVO:LIG:K:SO4:402:.:SITE:UP:Q9UBC3:PWWP1:A",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
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      "pdb_id": "5NVO",
      "ligand_instance_id": "PDB:5NVO:LIG:K:SO4:402:.",
      "protein_id": "UP:Q9UBC3",
      "domain_id": "UP:Q9UBC3:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
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      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
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      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/5NVO",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "2064abc26e049d5b45a8e32a53fa1536f42e4d3017076d719e8a29a5a6b4ae9c",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5NV7:LIG:H:SO4:403:.:SITE:UP:Q9UBC3:PWWP1:A",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
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      "ligand_instance_id": "PDB:5NV7:LIG:H:SO4:403:.",
      "protein_id": "UP:Q9UBC3",
      "domain_id": "UP:Q9UBC3:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
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      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
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      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/5NV7",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5NRS:LIG:F:SO4:401:.:SITE:UP:Q9UBC3:PWWP1:A",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "5NRS",
      "ligand_instance_id": "PDB:5NRS:LIG:F:SO4:401:.",
      "protein_id": "UP:Q9UBC3",
      "domain_id": "UP:Q9UBC3:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
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      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/5NRS",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5VC8:LIG:DA:UNX:404:.:SITE:UP:O96028:PWWP1:A",
      "chemical_id": "CCD_UNRESOLVED:UNX",
      "compound_id": "CCD_UNRESOLVED:UNX",
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      "ligand_instance_id": "PDB:5VC8:LIG:DA:UNX:404:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/5VC8",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:4COS:LIG:B:ZN:1400:.:SITE:UP:Q9ULU4:PWWP1:A",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "4COS",
      "ligand_instance_id": "PDB:4COS:LIG:B:ZN:1400:.",
      "protein_id": "UP:Q9ULU4",
      "domain_id": "UP:Q9ULU4:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
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      "source_url": "https://www.rcsb.org/structure/4COS",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9T2F:LIG:E:ZN:504:.:SITE:UP:Q9ULU4:PWWP1:A",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "9T2F",
      "ligand_instance_id": "PDB:9T2F:LIG:E:ZN:504:.",
      "protein_id": "UP:Q9ULU4",
      "domain_id": "UP:Q9ULU4:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
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      "source_url": "https://www.rcsb.org/structure/9T2F",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9T2G:LIG:B:ZN:501:.:SITE:UP:Q9ULU4:PWWP1:A",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "9T2G",
      "ligand_instance_id": "PDB:9T2G:LIG:B:ZN:501:.",
      "protein_id": "UP:Q9ULU4",
      "domain_id": "UP:Q9ULU4:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
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      "source_url": "https://www.rcsb.org/structure/9T2G",
      "ccd_url": "https://www.rcsb.org/ligand/ZN",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:6G25:LIG:B:EHQ:401:.:SITE:UP:Q9BZ95:PWWP1:A",
      "chemical_id": "INCHIKEY:JYTPHNOPQGAILG-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:JYTPHNOPQGAILG-UHFFFAOYSA-N",
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      "ligand_instance_id": "PDB:6G25:LIG:B:EHQ:401:.",
      "protein_id": "UP:Q9BZ95",
      "domain_id": "UP:Q9BZ95:PWWP1",
      "source_role": "experimentally studied ligand",
      "role_code": "reported_studied_structural_ligand",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:6G27:LIG:B:EHE:401:.:SITE:UP:Q9BZ95:PWWP1:A",
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      "protein_id": "UP:Q9BZ95",
      "domain_id": "UP:Q9BZ95:PWWP1",
      "source_role": "experimentally studied ligand",
      "role_code": "reported_studied_structural_ligand",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:6G29:LIG:B:EHK:401:.:SITE:UP:Q9BZ95:PWWP1:A",
      "chemical_id": "INCHIKEY:DDBCCLBDEPERNR-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:DDBCCLBDEPERNR-UHFFFAOYSA-N",
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      "ligand_instance_id": "PDB:6G29:LIG:B:EHK:401:.",
      "protein_id": "UP:Q9BZ95",
      "domain_id": "UP:Q9BZ95:PWWP1",
      "source_role": "experimentally studied ligand",
      "role_code": "reported_studied_structural_ligand",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/6G29",
      "ccd_url": "https://www.rcsb.org/ligand/EHK",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:6G2C:LIG:B:EHT:401:.:SITE:UP:Q9BZ95:PWWP1:A",
      "chemical_id": "INCHIKEY:XPQAEPLMWBAUIW-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:XPQAEPLMWBAUIW-UHFFFAOYSA-N",
      "pdb_id": "6G2C",
      "ligand_instance_id": "PDB:6G2C:LIG:B:EHT:401:.",
      "protein_id": "UP:Q9BZ95",
      "domain_id": "UP:Q9BZ95:PWWP1",
      "source_role": "experimentally studied ligand",
      "role_code": "reported_studied_structural_ligand",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/6G2C",
      "ccd_url": "https://www.rcsb.org/ligand/EHT",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:6G2E:LIG:B:EHH:401:.:SITE:UP:Q9BZ95:PWWP1:A",
      "chemical_id": "INCHIKEY:LYFZPAXTPPYSEC-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:LYFZPAXTPPYSEC-UHFFFAOYSA-N",
      "pdb_id": "6G2E",
      "ligand_instance_id": "PDB:6G2E:LIG:B:EHH:401:.",
      "protein_id": "UP:Q9BZ95",
      "domain_id": "UP:Q9BZ95:PWWP1",
      "source_role": "experimentally studied ligand",
      "role_code": "reported_studied_structural_ligand",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/6G2E",
      "ccd_url": "https://www.rcsb.org/ligand/EHH",
      "coordinate_sha256": "e809b9baa1c5ade377fc643ce3d4afbc3db6e5f9b3bcbe1a3b027811cdaae5ae",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:6G2B:LIG:B:EH8:401:.:SITE:UP:Q9BZ95:PWWP1:A",
      "chemical_id": "INCHIKEY:NSJCXUONRHOYTD-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:NSJCXUONRHOYTD-UHFFFAOYSA-N",
      "pdb_id": "6G2B",
      "ligand_instance_id": "PDB:6G2B:LIG:B:EH8:401:.",
      "protein_id": "UP:Q9BZ95",
      "domain_id": "UP:Q9BZ95:PWWP1",
      "source_role": "experimentally studied ligand",
      "role_code": "reported_studied_structural_ligand",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/6G2B",
      "ccd_url": "https://www.rcsb.org/ligand/EH8",
      "coordinate_sha256": "dce5954b2d79e02080df5a3eef77d3759da95184b7dcc05c55959482f4225513",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:6G2F:LIG:B:EHW:401:.:SITE:UP:Q9BZ95:PWWP1:A",
      "chemical_id": "INCHIKEY:FOQLCYIBXICLES-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:FOQLCYIBXICLES-UHFFFAOYSA-N",
      "pdb_id": "6G2F",
      "ligand_instance_id": "PDB:6G2F:LIG:B:EHW:401:.",
      "protein_id": "UP:Q9BZ95",
      "domain_id": "UP:Q9BZ95:PWWP1",
      "source_role": "experimentally studied ligand",
      "role_code": "reported_studied_structural_ligand",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/6G2F",
      "ccd_url": "https://www.rcsb.org/ligand/EHW",
      "coordinate_sha256": "3cf49e832eb427f056db222f57095c18f16596958a655821236c98dab4e1a755",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:6G2O:LIG:B:EJE:401:.:SITE:UP:Q9BZ95:PWWP1:A",
      "chemical_id": "INCHIKEY:WOAOENGFAAUUGT-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:WOAOENGFAAUUGT-UHFFFAOYSA-N",
      "pdb_id": "6G2O",
      "ligand_instance_id": "PDB:6G2O:LIG:B:EJE:401:.",
      "protein_id": "UP:Q9BZ95",
      "domain_id": "UP:Q9BZ95:PWWP1",
      "source_role": "experimentally studied ligand",
      "role_code": "reported_studied_structural_ligand",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/6G2O",
      "ccd_url": "https://www.rcsb.org/ligand/EJE",
      "coordinate_sha256": "74d2d63c67c68d75cd98a65a67771b43791e1d61b52c6fd985805899f9c8ecfa",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5NRV:LIG:L:SO4:403:.:SITE:UP:Q9UBC3:PWWP1:B",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "5NRV",
      "ligand_instance_id": "PDB:5NRV:LIG:L:SO4:403:.",
      "protein_id": "UP:Q9UBC3",
      "domain_id": "UP:Q9UBC3:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/5NRV",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "d069ff65539e46f88b81c09ce8b540b38d9403ad77689dc00093cd38d90162bf",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:4NS5:LIG:B:ZN:401:.:SITE:UP:Q15326:PWWP1:A",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "4NS5",
      "ligand_instance_id": "PDB:4NS5:LIG:B:ZN:401:.",
      "protein_id": "UP:Q15326",
      "domain_id": "UP:Q15326:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/4NS5",
      "ccd_url": "https://www.rcsb.org/ligand/ZN",
      "coordinate_sha256": "d6f35d5c06ce150fc8a1c9203a1545c94d50bd5caef6a08db95ea73a7fa89876",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:4N4H:LIG:C:ZN:401:.:SITE:UP:Q8R5C8:PWWP1:A",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "4N4H",
      "ligand_instance_id": "PDB:4N4H:LIG:C:ZN:401:.",
      "protein_id": "UP:Q8R5C8",
      "domain_id": "UP:Q8R5C8:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/4N4H",
      "ccd_url": "https://www.rcsb.org/ligand/ZN",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:4N4G:LIG:B:ZN:401:.:SITE:UP:Q8R5C8:PWWP1:A",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "4N4G",
      "ligand_instance_id": "PDB:4N4G:LIG:B:ZN:401:.",
      "protein_id": "UP:Q8R5C8",
      "domain_id": "UP:Q8R5C8:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
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      "source_url": "https://www.rcsb.org/structure/4N4G",
      "ccd_url": "https://www.rcsb.org/ligand/ZN",
      "coordinate_sha256": "09c84041074f997e0da769246ca10975646dd36ae29032fa490130f7f2beb56e",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:4N4I:LIG:C:ZN:401:.:SITE:UP:Q8R5C8:PWWP1:A",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
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      "pdb_id": "4N4I",
      "ligand_instance_id": "PDB:4N4I:LIG:C:ZN:401:.",
      "protein_id": "UP:Q8R5C8",
      "domain_id": "UP:Q8R5C8:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
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      "source_url": "https://www.rcsb.org/structure/4N4I",
      "ccd_url": "https://www.rcsb.org/ligand/ZN",
      "coordinate_sha256": "22a5534c64dcd73b49a3c3f2f9e41896c5689ca25449ef8a86993159e5db235c",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:6UE6:LIG:P:UNX:2008:.:SITE:UP:O96028:PWWP1:A",
      "chemical_id": "CCD_UNRESOLVED:UNX",
      "compound_id": "CCD_UNRESOLVED:UNX",
      "pdb_id": "6UE6",
      "ligand_instance_id": "PDB:6UE6:LIG:P:UNX:2008:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/6UE6",
      "ccd_url": "https://www.rcsb.org/ligand/UNX",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:6G3T:LIG:E:EPE:401:.:SITE:UP:Q9BZ95:PWWP1:A",
      "chemical_id": "INCHIKEY:JKMHFZQWWAIEOD-UHFFFAOYSA-N",
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      "pdb_id": "6G3T",
      "ligand_instance_id": "PDB:6G3T:LIG:E:EPE:401:.",
      "protein_id": "UP:Q9BZ95",
      "domain_id": "UP:Q9BZ95:PWWP1",
      "source_role": "buffer/additive",
      "role_code": "buffer_component",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5VC8:LIG:K:UNX:405:.:SITE:UP:O96028:PWWP1:A",
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      "compound_id": "CCD_UNRESOLVED:UNX",
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      "ligand_instance_id": "PDB:5VC8:LIG:K:UNX:405:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "ligand_instance_id": "PDB:6UE6:LIG:Q:UNX:2009:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "broader_Pfam_PWWP_contact",
      "structural_research_ligand": false,
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:1KHC:LIG:W:UNX:184:.:SITE:UP:O88509:PWWP1:A",
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      "compound_id": "CCD_UNRESOLVED:UNX",
      "pdb_id": "1KHC",
      "ligand_instance_id": "PDB:1KHC:LIG:W:UNX:184:.",
      "protein_id": "UP:O88509",
      "domain_id": "UP:O88509:PWWP1",
      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:1KHC:LIG:S:UNX:180:.:SITE:UP:O88509:PWWP1:A",
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      "compound_id": "CCD_UNRESOLVED:UNX",
      "pdb_id": "1KHC",
      "ligand_instance_id": "PDB:1KHC:LIG:S:UNX:180:.",
      "protein_id": "UP:O88509",
      "domain_id": "UP:O88509:PWWP1",
      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "native_annotation_core_contact",
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      "source_url": "https://www.rcsb.org/structure/1KHC",
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      "coordinate_sha256": "74e6ef75c14272818121a250f29daee64bb2485d0fdf784911795a3d408e79d7",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:1KHC:LIG:Q:UNX:178:.:SITE:UP:O88509:PWWP1:A",
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      "compound_id": "CCD_UNRESOLVED:UNX",
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      "ligand_instance_id": "PDB:1KHC:LIG:Q:UNX:178:.",
      "protein_id": "UP:O88509",
      "domain_id": "UP:O88509:PWWP1",
      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
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      "coordinate_sha256": "74e6ef75c14272818121a250f29daee64bb2485d0fdf784911795a3d408e79d7",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:1KHC:LIG:U:UNX:182:.:SITE:UP:O88509:PWWP1:A",
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      "compound_id": "CCD_UNRESOLVED:UNX",
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      "protein_id": "UP:O88509",
      "domain_id": "UP:O88509:PWWP1",
      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:1KHC:LIG:T:UNX:181:.:SITE:UP:O88509:PWWP1:A",
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      "compound_id": "CCD_UNRESOLVED:UNX",
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      "ligand_instance_id": "PDB:1KHC:LIG:T:UNX:181:.",
      "protein_id": "UP:O88509",
      "domain_id": "UP:O88509:PWWP1",
      "source_role": "unknown chemical component",
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      "source_url": "https://www.rcsb.org/structure/1KHC",
      "ccd_url": "https://www.rcsb.org/ligand/UNX",
      "coordinate_sha256": "74e6ef75c14272818121a250f29daee64bb2485d0fdf784911795a3d408e79d7",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:1KHC:LIG:R:UNX:179:.:SITE:UP:O88509:PWWP1:A",
      "chemical_id": "CCD_UNRESOLVED:UNX",
      "compound_id": "CCD_UNRESOLVED:UNX",
      "pdb_id": "1KHC",
      "ligand_instance_id": "PDB:1KHC:LIG:R:UNX:179:.",
      "protein_id": "UP:O88509",
      "domain_id": "UP:O88509:PWWP1",
      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/1KHC",
      "ccd_url": "https://www.rcsb.org/ligand/UNX",
      "coordinate_sha256": "74e6ef75c14272818121a250f29daee64bb2485d0fdf784911795a3d408e79d7",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:4N4I:LIG:B:M3L:36:18:SITE:UP:Q8R5C8:PWWP1:A",
      "chemical_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O",
      "compound_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O",
      "pdb_id": "4N4I",
      "ligand_instance_id": "PDB:4N4I:LIG:B:M3L:36:18",
      "protein_id": "UP:Q8R5C8",
      "domain_id": "UP:Q8R5C8:PWWP1",
      "source_role": null,
      "role_code": "unclassified_biological_component",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/4N4I",
      "ccd_url": "https://www.rcsb.org/ligand/M3L",
      "coordinate_sha256": "22a5534c64dcd73b49a3c3f2f9e41896c5689ca25449ef8a86993159e5db235c",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:4N4H:LIG:B:M3L:36:16:SITE:UP:Q8R5C8:PWWP1:A",
      "chemical_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O",
      "compound_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O",
      "pdb_id": "4N4H",
      "ligand_instance_id": "PDB:4N4H:LIG:B:M3L:36:16",
      "protein_id": "UP:Q8R5C8",
      "domain_id": "UP:Q8R5C8:PWWP1",
      "source_role": null,
      "role_code": "unclassified_biological_component",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/4N4H",
      "ccd_url": "https://www.rcsb.org/ligand/M3L",
      "coordinate_sha256": "846f4365d782c5d008d80fa1cf4e8093fac1a121993ce6c410e2b02c169141ae",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:1KHC:LIG:V:UNX:183:.:SITE:UP:O88509:PWWP1:A",
      "chemical_id": "CCD_UNRESOLVED:UNX",
      "compound_id": "CCD_UNRESOLVED:UNX",
      "pdb_id": "1KHC",
      "ligand_instance_id": "PDB:1KHC:LIG:V:UNX:183:.",
      "protein_id": "UP:O88509",
      "domain_id": "UP:O88509:PWWP1",
      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/1KHC",
      "ccd_url": "https://www.rcsb.org/ligand/UNX",
      "coordinate_sha256": "74e6ef75c14272818121a250f29daee64bb2485d0fdf784911795a3d408e79d7",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7VLN:LIG:D:7QC:401:.:SITE:UP:O96028:PWWP1:A",
      "chemical_id": "INCHIKEY:ZMYTUDHTGNNWHO-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:ZMYTUDHTGNNWHO-UHFFFAOYSA-N",
      "pdb_id": "7VLN",
      "ligand_instance_id": "PDB:7VLN:LIG:D:7QC:401:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "experimentally studied ligand",
      "role_code": "reported_studied_structural_ligand",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "broader_Pfam_PWWP_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7VLN",
      "ccd_url": "https://www.rcsb.org/ligand/7QC",
      "coordinate_sha256": "472df8421ea6ecef5b065b858f06bea4b72dd74cece11195144fb5eaf3e05e1c",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5VC8:LIG:L:UNX:406:.:SITE:UP:O96028:PWWP1:A",
      "chemical_id": "CCD_UNRESOLVED:UNX",
      "compound_id": "CCD_UNRESOLVED:UNX",
      "pdb_id": "5VC8",
      "ligand_instance_id": "PDB:5VC8:LIG:L:UNX:406:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "broader_Pfam_PWWP_contact",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/5VC8",
      "ccd_url": "https://www.rcsb.org/ligand/UNX",
      "coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:1KHC:LIG:J:UNX:171:.:SITE:UP:O88509:PWWP1:A",
      "chemical_id": "CCD_UNRESOLVED:UNX",
      "compound_id": "CCD_UNRESOLVED:UNX",
      "pdb_id": "1KHC",
      "ligand_instance_id": "PDB:1KHC:LIG:J:UNX:171:.",
      "protein_id": "UP:O88509",
      "domain_id": "UP:O88509:PWWP1",
      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "broader_Pfam_PWWP_contact",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/1KHC",
      "ccd_url": "https://www.rcsb.org/ligand/UNX",
      "coordinate_sha256": "74e6ef75c14272818121a250f29daee64bb2485d0fdf784911795a3d408e79d7",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:1KHC:LIG:H:UNX:169:.:SITE:UP:O88509:PWWP1:A",
      "chemical_id": "CCD_UNRESOLVED:UNX",
      "compound_id": "CCD_UNRESOLVED:UNX",
      "pdb_id": "1KHC",
      "ligand_instance_id": "PDB:1KHC:LIG:H:UNX:169:.",
      "protein_id": "UP:O88509",
      "domain_id": "UP:O88509:PWWP1",
      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "broader_Pfam_PWWP_contact",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/1KHC",
      "ccd_url": "https://www.rcsb.org/ligand/UNX",
      "coordinate_sha256": "74e6ef75c14272818121a250f29daee64bb2485d0fdf784911795a3d408e79d7",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:1KHC:LIG:I:UNX:170:.:SITE:UP:O88509:PWWP1:A",
      "chemical_id": "CCD_UNRESOLVED:UNX",
      "compound_id": "CCD_UNRESOLVED:UNX",
      "pdb_id": "1KHC",
      "ligand_instance_id": "PDB:1KHC:LIG:I:UNX:170:.",
      "protein_id": "UP:O88509",
      "domain_id": "UP:O88509:PWWP1",
      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "broader_Pfam_PWWP_contact",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/1KHC",
      "ccd_url": "https://www.rcsb.org/ligand/UNX",
      "coordinate_sha256": "74e6ef75c14272818121a250f29daee64bb2485d0fdf784911795a3d408e79d7",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9T2F:LIG:B:EDO:501:.:SITE:UP:Q9ULU4:PWWP1:A",
      "chemical_id": "INCHIKEY:LYCAIKOWRPUZTN-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:LYCAIKOWRPUZTN-UHFFFAOYSA-N",
      "pdb_id": "9T2F",
      "ligand_instance_id": "PDB:9T2F:LIG:B:EDO:501:.",
      "protein_id": "UP:Q9ULU4",
      "domain_id": "UP:Q9ULU4:PWWP1",
      "source_role": "cryoprotectant/additive",
      "role_code": "cryoprotectant",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/9T2F",
      "ccd_url": "https://www.rcsb.org/ligand/EDO",
      "coordinate_sha256": "892edee866ba5352525742db289e1da9520510d4872d0cb335a1242459d44d0e",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5B73:LIG:B:ZN:501:.:SITE:UP:Q9ULU4:PWWP1:A",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "5B73",
      "ligand_instance_id": "PDB:5B73:LIG:B:ZN:501:.",
      "protein_id": "UP:Q9ULU4",
      "domain_id": "UP:Q9ULU4:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/5B73",
      "ccd_url": "https://www.rcsb.org/ligand/ZN",
      "coordinate_sha256": "a14aa28e93213a99e4976780d97eb959783d0aaa833cdf19ab277b65a5b19153",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5VC8:LIG:O:UNX:409:.:SITE:UP:O96028:PWWP1:A",
      "chemical_id": "CCD_UNRESOLVED:UNX",
      "compound_id": "CCD_UNRESOLVED:UNX",
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      "ligand_instance_id": "PDB:5VC8:LIG:O:UNX:409:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "broader_Pfam_PWWP_contact",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/5VC8",
      "ccd_url": "https://www.rcsb.org/ligand/UNX",
      "coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGH:LIG:J:A1A4A:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:KKBVPDRSYCAPEU-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:KKBVPDRSYCAPEU-UHFFFAOYSA-N",
      "pdb_id": "7HGH",
      "ligand_instance_id": "PDB:7HGH:LIG:J:A1A4A:103:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7HGH",
      "ccd_url": "https://www.rcsb.org/ligand/A1A4A",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGA:LIG:J:TU6:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:GZINCFOQQRVKFL-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:GZINCFOQQRVKFL-UHFFFAOYSA-N",
      "pdb_id": "7HGA",
      "ligand_instance_id": "PDB:7HGA:LIG:J:TU6:103:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7HGA",
      "ccd_url": "https://www.rcsb.org/ligand/TU6",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HG3:LIG:H:ZQD:105:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:IUKADXXFBFQTOO-VIFPVBQESA-N",
      "compound_id": "INCHIKEY:IUKADXXFBFQTOO-VIFPVBQESA-N",
      "pdb_id": "7HG3",
      "ligand_instance_id": "PDB:7HG3:LIG:H:ZQD:105:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7HG3",
      "ccd_url": "https://www.rcsb.org/ligand/ZQD",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HHD:LIG:J:A1A3V:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:HFHPBMVMXFZJNO-MRVPVSSYSA-N",
      "compound_id": "INCHIKEY:HFHPBMVMXFZJNO-MRVPVSSYSA-N",
      "pdb_id": "7HHD",
      "ligand_instance_id": "PDB:7HHD:LIG:J:A1A3V:103:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
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      "ccd_url": "https://www.rcsb.org/ligand/A1A3V",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGD:LIG:K:A1A3S:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:CPSZUJVUZDHXHY-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:CPSZUJVUZDHXHY-UHFFFAOYSA-N",
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      "ligand_instance_id": "PDB:7HGD:LIG:K:A1A3S:103:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
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      "source_url": "https://www.rcsb.org/structure/7HGD",
      "ccd_url": "https://www.rcsb.org/ligand/A1A3S",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HG4:LIG:J:UXG:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:MMAJXKGUZYDTHV-UHFFFAOYSA-N",
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      "ligand_instance_id": "PDB:7HG4:LIG:J:UXG:103:.",
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      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
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    },
    {
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      "ligand_instance_id": "PDB:5NRV:LIG:G:SO4:405:.",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
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    },
    {
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
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    },
    {
      "site_id": "PDB:5NV0:LIG:E:SO4:403:.:SITE:UP:Q9UBC3:PWWP1:A",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
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    },
    {
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      "source_role": "ion/additive",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5NRS:LIG:C:SO4:401:.:SITE:UP:Q9UBC3:PWWP1:A",
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      "ligand_instance_id": "PDB:5NRS:LIG:C:SO4:401:.",
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      "source_role": "ion/additive",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5NVO:LIG:E:SO4:403:.:SITE:UP:Q9UBC3:PWWP1:A",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5NV7:LIG:D:SO4:402:.:SITE:UP:Q9UBC3:PWWP1:A",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5NV2:LIG:D:SO4:402:.:SITE:UP:Q9UBC3:PWWP1:A",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:3QKJ:LIG:F:SO4:3:.:SITE:UP:Q9UBC3:PWWP1:A",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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    },
    {
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    },
    {
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HHB:LIG:J:A1A3U:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:XJCXOPUZWYXCES-QMMMGPOBSA-N",
      "compound_id": "INCHIKEY:XJCXOPUZWYXCES-QMMMGPOBSA-N",
      "pdb_id": "7HHB",
      "ligand_instance_id": "PDB:7HHB:LIG:J:A1A3U:103:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7HHB",
      "ccd_url": "https://www.rcsb.org/ligand/A1A3U",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HH9:LIG:J:A1A3W:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:LOFCJGPTBIGJGR-SECBINFHSA-N",
      "compound_id": "INCHIKEY:LOFCJGPTBIGJGR-SECBINFHSA-N",
      "pdb_id": "7HH9",
      "ligand_instance_id": "PDB:7HH9:LIG:J:A1A3W:103:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
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      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7HH9",
      "ccd_url": "https://www.rcsb.org/ligand/A1A3W",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HHH:LIG:J:A1A3T:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
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      "compound_id": "INCHIKEY:QQINQSPEYDVMCD-UHFFFAOYSA-N",
      "pdb_id": "7HHH",
      "ligand_instance_id": "PDB:7HHH:LIG:J:A1A3T:103:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
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      "source_url": "https://www.rcsb.org/structure/7HHH",
      "ccd_url": "https://www.rcsb.org/ligand/A1A3T",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGQ:LIG:J:K2S:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:YJCZGTAEFYFJRJ-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:YJCZGTAEFYFJRJ-UHFFFAOYSA-N",
      "pdb_id": "7HGQ",
      "ligand_instance_id": "PDB:7HGQ:LIG:J:K2S:103:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
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      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7HGQ",
      "ccd_url": "https://www.rcsb.org/ligand/K2S",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGY:LIG:H:UVA:105:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:YLDKGNWSSXYUAH-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:YLDKGNWSSXYUAH-UHFFFAOYSA-N",
      "pdb_id": "7HGY",
      "ligand_instance_id": "PDB:7HGY:LIG:H:UVA:105:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7HGY",
      "ccd_url": "https://www.rcsb.org/ligand/UVA",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HHK:LIG:K:LPU:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:UPEFDWJLNXWMOW-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:UPEFDWJLNXWMOW-UHFFFAOYSA-N",
      "pdb_id": "7HHK",
      "ligand_instance_id": "PDB:7HHK:LIG:K:LPU:103:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
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      "exact_pwwp_contact": true,
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      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7HHK",
      "ccd_url": "https://www.rcsb.org/ligand/LPU",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HHC:LIG:J:SYX:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:ZSHARPJAQXGCMB-SECBINFHSA-N",
      "compound_id": "INCHIKEY:ZSHARPJAQXGCMB-SECBINFHSA-N",
      "pdb_id": "7HHC",
      "ligand_instance_id": "PDB:7HHC:LIG:J:SYX:103:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
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      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
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      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7HHC",
      "ccd_url": "https://www.rcsb.org/ligand/SYX",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HHN:LIG:J:A1A30:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:JYNPFTCJJVIWTD-LURJTMIESA-N",
      "compound_id": "INCHIKEY:JYNPFTCJJVIWTD-LURJTMIESA-N",
      "pdb_id": "7HHN",
      "ligand_instance_id": "PDB:7HHN:LIG:J:A1A30:103:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
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      "exact_pwwp_contact": true,
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      "structural_research_ligand": true,
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      "source_url": "https://www.rcsb.org/structure/7HHN",
      "ccd_url": "https://www.rcsb.org/ligand/A1A30",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGJ:LIG:J:ZUG:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:HGZULNNLLFYOFI-UHFFFAOYSA-N",
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      "pdb_id": "7HGJ",
      "ligand_instance_id": "PDB:7HGJ:LIG:J:ZUG:103:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
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      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7HGJ",
      "ccd_url": "https://www.rcsb.org/ligand/ZUG",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HH1:LIG:J:VVG:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:MRTGYFRQZQCITC-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:MRTGYFRQZQCITC-UHFFFAOYSA-N",
      "pdb_id": "7HH1",
      "ligand_instance_id": "PDB:7HH1:LIG:J:VVG:103:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7HH1",
      "ccd_url": "https://www.rcsb.org/ligand/VVG",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HHQ:LIG:K:A1A3Y:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
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      "compound_id": "INCHIKEY:ZSHAGSDVWLLMSY-UHFFFAOYSA-N",
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      "ligand_instance_id": "PDB:7HHQ:LIG:K:A1A3Y:103:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
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      "structural_research_ligand": true,
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      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HHA:LIG:K:TE0:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:FXILSJTWIHHRJV-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:FXILSJTWIHHRJV-UHFFFAOYSA-N",
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      "ligand_instance_id": "PDB:7HHA:LIG:K:TE0:103:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
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      "structural_research_ligand": true,
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      "ccd_url": "https://www.rcsb.org/ligand/TE0",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HG1:LIG:J:UWS:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:PLCLGFAKZPXQFY-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PLCLGFAKZPXQFY-UHFFFAOYSA-N",
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      "ligand_instance_id": "PDB:7HG1:LIG:J:UWS:103:.",
      "protein_id": "UP:Q7Z4V5",
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      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HHF:LIG:J:A1A36:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
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      "ligand_instance_id": "PDB:7HHF:LIG:J:A1A36:103:.",
      "protein_id": "UP:Q7Z4V5",
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      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HH3:LIG:J:A1A3X:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:DBSDZVMWEMKFCH-QMMMGPOBSA-N",
      "compound_id": "INCHIKEY:DBSDZVMWEMKFCH-QMMMGPOBSA-N",
      "pdb_id": "7HH3",
      "ligand_instance_id": "PDB:7HH3:LIG:J:A1A3X:103:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGB:LIG:J:A1A34:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:LZKKUVDCFSJGNG-UHFFFAOYSA-N",
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      "ligand_instance_id": "PDB:7HGB:LIG:J:A1A34:103:.",
      "protein_id": "UP:Q7Z4V5",
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      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGU:LIG:J:VVJ:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:UXPPTRFZLSZETL-UHFFFAOYSA-N",
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      "ligand_instance_id": "PDB:7HGU:LIG:J:VVJ:103:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7HGU",
      "ccd_url": "https://www.rcsb.org/ligand/VVJ",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HHG:LIG:J:W1A:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:LULUGSQUPICPQM-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:LULUGSQUPICPQM-UHFFFAOYSA-N",
      "pdb_id": "7HHG",
      "ligand_instance_id": "PDB:7HHG:LIG:J:W1A:103:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7HHG",
      "ccd_url": "https://www.rcsb.org/ligand/W1A",
      "coordinate_sha256": "a896867c69482077b02278bf4794f47281ec1ddeb4839bd8a00cca786129535a",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGS:LIG:J:A1AMX:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:YVFXOSQSQHCMKO-MRVPVSSYSA-N",
      "compound_id": "INCHIKEY:YVFXOSQSQHCMKO-MRVPVSSYSA-N",
      "pdb_id": "7HGS",
      "ligand_instance_id": "PDB:7HGS:LIG:J:A1AMX:103:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7HGS",
      "ccd_url": "https://www.rcsb.org/ligand/A1AMX",
      "coordinate_sha256": "9a427bb2d686a3db73f9bd9ed5453a7de93228c477936b0b3267d990cd881913",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HH4:LIG:K:W0J:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:QLSDWIHANVSIEK-SECBINFHSA-N",
      "compound_id": "INCHIKEY:QLSDWIHANVSIEK-SECBINFHSA-N",
      "pdb_id": "7HH4",
      "ligand_instance_id": "PDB:7HH4:LIG:K:W0J:103:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7HH4",
      "ccd_url": "https://www.rcsb.org/ligand/W0J",
      "coordinate_sha256": "510e664fc490fc6f401324f1ab8850f0e0dcd84c18bb674bd7a5d054beea887a",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HHR:LIG:J:YEB:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:OPFOHHASSCNHHQ-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:OPFOHHASSCNHHQ-UHFFFAOYSA-N",
      "pdb_id": "7HHR",
      "ligand_instance_id": "PDB:7HHR:LIG:J:YEB:103:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7HHR",
      "ccd_url": "https://www.rcsb.org/ligand/YEB",
      "coordinate_sha256": "7fef6ac7429ee7acbeaec8c3cfa8ad9f497bfd952d20c252fa4eef458ca62aac",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HHO:LIG:J:A1H9U:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:XFEFCFAFNZDPDF-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:XFEFCFAFNZDPDF-UHFFFAOYSA-N",
      "pdb_id": "7HHO",
      "ligand_instance_id": "PDB:7HHO:LIG:J:A1H9U:103:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7HHO",
      "ccd_url": "https://www.rcsb.org/ligand/A1H9U",
      "coordinate_sha256": "1f3df030f3b583c8ef78806675ac9849ef0566c166acddc43c4857543b807589",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9GRS:LIG:G:A1H6Y:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:FJLFSYRGFJDJMQ-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:FJLFSYRGFJDJMQ-UHFFFAOYSA-N",
      "pdb_id": "9GRS",
      "ligand_instance_id": "PDB:9GRS:LIG:G:A1H6Y:101:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally studied ligand",
      "role_code": "reported_studied_structural_ligand",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/9GRS",
      "ccd_url": "https://www.rcsb.org/ligand/A1H6Y",
      "coordinate_sha256": "ea6962be06f3f0d1f1eafd6f9dc63f52f2ac283158251f34bbd80282a812975c",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGE:LIG:J:X0S:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:OSFAUZAAZLLTSW-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:OSFAUZAAZLLTSW-UHFFFAOYSA-N",
      "pdb_id": "7HGE",
      "ligand_instance_id": "PDB:7HGE:LIG:J:X0S:103:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7HGE",
      "ccd_url": "https://www.rcsb.org/ligand/X0S",
      "coordinate_sha256": "a47e6ecaec82ebbe6f11d34a6daf2212907a2bb073f6e809384d95bfeaae54e6",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HG8:LIG:J:VZP:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:RMWFRPZNASSVCZ-MRVPVSSYSA-N",
      "compound_id": "INCHIKEY:RMWFRPZNASSVCZ-MRVPVSSYSA-N",
      "pdb_id": "7HG8",
      "ligand_instance_id": "PDB:7HG8:LIG:J:VZP:103:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7HG8",
      "ccd_url": "https://www.rcsb.org/ligand/VZP",
      "coordinate_sha256": "a434fc89dfce37fb67f0c7c64b5ebed0f4a3921a41cb2285b1efe1015714d047",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGM:LIG:K:A1AM1:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:IOOTXFHTMOUUHM-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:IOOTXFHTMOUUHM-UHFFFAOYSA-N",
      "pdb_id": "7HGM",
      "ligand_instance_id": "PDB:7HGM:LIG:K:A1AM1:103:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7HGM",
      "ccd_url": "https://www.rcsb.org/ligand/A1AM1",
      "coordinate_sha256": "f021515fcc93f71d32c3e0682b0e0209a12607a2e970402ef64c3f2287eb8b4f",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGO:LIG:J:8DH:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:VTMVBMKVPGBHRQ-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:VTMVBMKVPGBHRQ-UHFFFAOYSA-N",
      "pdb_id": "7HGO",
      "ligand_instance_id": "PDB:7HGO:LIG:J:8DH:103:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7HGO",
      "ccd_url": "https://www.rcsb.org/ligand/8DH",
      "coordinate_sha256": "59502200c946ad49417ae7474a0e2d74d11e2d7b2579181e1e871b1a6d1bb0a6",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HG5:LIG:J:WV4:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:UTXGKZQFKXUXRX-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:UTXGKZQFKXUXRX-UHFFFAOYSA-N",
      "pdb_id": "7HG5",
      "ligand_instance_id": "PDB:7HG5:LIG:J:WV4:103:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7HG5",
      "ccd_url": "https://www.rcsb.org/ligand/WV4",
      "coordinate_sha256": "bb39c9642cd82a37470ada6d1e0e4f59b40afbd6a922dd21af704e098ff88f1f",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGG:LIG:J:A1A4B:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:YWRNHBFWWBSTNH-QMMMGPOBSA-N",
      "compound_id": "INCHIKEY:YWRNHBFWWBSTNH-QMMMGPOBSA-N",
      "pdb_id": "7HGG",
      "ligand_instance_id": "PDB:7HGG:LIG:J:A1A4B:103:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7HGG",
      "ccd_url": "https://www.rcsb.org/ligand/A1A4B",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HG9:LIG:J:A1A3Q:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:VMFJFKMORNSDKQ-ZETCQYMHSA-N",
      "compound_id": "INCHIKEY:VMFJFKMORNSDKQ-ZETCQYMHSA-N",
      "pdb_id": "7HG9",
      "ligand_instance_id": "PDB:7HG9:LIG:J:A1A3Q:103:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7HG9",
      "ccd_url": "https://www.rcsb.org/ligand/A1A3Q",
      "coordinate_sha256": "46698a2c5719ea7f08cdfc12c81a087f1a8d7efa1bacbd8927f37dde082bc33a",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HHM:LIG:J:UWD:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:UQXCTICEXNDHAR-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:UQXCTICEXNDHAR-UHFFFAOYSA-N",
      "pdb_id": "7HHM",
      "ligand_instance_id": "PDB:7HHM:LIG:J:UWD:103:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7HHM",
      "ccd_url": "https://www.rcsb.org/ligand/UWD",
      "coordinate_sha256": "f561b2f7583289757670eaa991f5ffcab2b8cd59a20412ed8e50c47c827b88ac",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HG2:LIG:K:U0S:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:ITTBXBSSJHVWJS-NSHDSACASA-N",
      "compound_id": "INCHIKEY:ITTBXBSSJHVWJS-NSHDSACASA-N",
      "pdb_id": "7HG2",
      "ligand_instance_id": "PDB:7HG2:LIG:K:U0S:103:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7HG2",
      "ccd_url": "https://www.rcsb.org/ligand/U0S",
      "coordinate_sha256": "e97ff28ea286827500e032d266eb70f9db7e1cf1610f12236e8936d6799c293d",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGT:LIG:J:A1A3R:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:WFCPFRCXTJZDAM-RQJHMYQMSA-N",
      "compound_id": "INCHIKEY:WFCPFRCXTJZDAM-RQJHMYQMSA-N",
      "pdb_id": "7HGT",
      "ligand_instance_id": "PDB:7HGT:LIG:J:A1A3R:103:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7HGT",
      "ccd_url": "https://www.rcsb.org/ligand/A1A3R",
      "coordinate_sha256": "a107fb099de003d1d957a6e83547aa44668cf35f9700f55688355b71c138882c",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HH7:LIG:J:LJR:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:PFWYRMPHHJKJBB-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PFWYRMPHHJKJBB-UHFFFAOYSA-N",
      "pdb_id": "7HH7",
      "ligand_instance_id": "PDB:7HH7:LIG:J:LJR:103:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7HH7",
      "ccd_url": "https://www.rcsb.org/ligand/LJR",
      "coordinate_sha256": "75ad16da3ae3ec45d91de34931ff783417cebbf9a1d2753d969d1e97ee851ba5",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9GRT:LIG:J:DMS:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:IAZDPXIOMUYVGZ-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:IAZDPXIOMUYVGZ-UHFFFAOYSA-N",
      "pdb_id": "9GRT",
      "ligand_instance_id": "PDB:9GRT:LIG:J:DMS:103:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "solvent",
      "role_code": "solvent",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/9GRT",
      "ccd_url": "https://www.rcsb.org/ligand/DMS",
      "coordinate_sha256": "624187a831cadcf3788247606ed693e3003cfdb7dfd1ac42a6d3fe8df7279158",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HH6:LIG:J:UUY:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:MWGKOPUDDQZERY-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:MWGKOPUDDQZERY-UHFFFAOYSA-N",
      "pdb_id": "7HH6",
      "ligand_instance_id": "PDB:7HH6:LIG:J:UUY:103:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7HH6",
      "ccd_url": "https://www.rcsb.org/ligand/UUY",
      "coordinate_sha256": "21d23981d4f83166dad0cb7188c153fa199dc543fe24b73e4d3da63a1b01d9fd",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGF:LIG:J:T0Y:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:JQJVNJKLFUBEBG-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:JQJVNJKLFUBEBG-UHFFFAOYSA-N",
      "pdb_id": "7HGF",
      "ligand_instance_id": "PDB:7HGF:LIG:J:T0Y:103:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7HGF",
      "ccd_url": "https://www.rcsb.org/ligand/T0Y",
      "coordinate_sha256": "c92bb07f522474a41152e29a7aa02fe7dc12373ecb91f8ff02534aa4965e6d2b",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:3QBY:LIG:D:M3L:20:6:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O",
      "compound_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O",
      "pdb_id": "3QBY",
      "ligand_instance_id": "PDB:3QBY:LIG:D:M3L:20:6",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": null,
      "role_code": "unclassified_biological_component",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/3QBY",
      "ccd_url": "https://www.rcsb.org/ligand/M3L",
      "coordinate_sha256": "4f5a434d2509ed7339960ff4604249a6c018761b14e740b671f8a7013873a3b2",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HG7:LIG:J:EJQ:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:XUHKVJOCQINJLO-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:XUHKVJOCQINJLO-UHFFFAOYSA-N",
      "pdb_id": "7HG7",
      "ligand_instance_id": "PDB:7HG7:LIG:J:EJQ:103:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7HG7",
      "ccd_url": "https://www.rcsb.org/ligand/EJQ",
      "coordinate_sha256": "b95d120ce3e13083a197df2483df9161623e36fa25aa70206f3ac7f383cf4f7a",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HG0:LIG:J:A1A3P:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:BTFSIMIIDGGVRU-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:BTFSIMIIDGGVRU-UHFFFAOYSA-N",
      "pdb_id": "7HG0",
      "ligand_instance_id": "PDB:7HG0:LIG:J:A1A3P:103:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7HG0",
      "ccd_url": "https://www.rcsb.org/ligand/A1A3P",
      "coordinate_sha256": "0a019d0902ca5cd3d32eefebc845e0194bc17b941a438f3b7da5fed8e127dd5b",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGL:LIG:J:WJ4:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:PTFMLOCDFPJQDW-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFMLOCDFPJQDW-UHFFFAOYSA-N",
      "pdb_id": "7HGL",
      "ligand_instance_id": "PDB:7HGL:LIG:J:WJ4:103:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7HGL",
      "ccd_url": "https://www.rcsb.org/ligand/WJ4",
      "coordinate_sha256": "91c262b125e9110110e8d2c8f8bdaa49b0ee49c11fefa4532511fee0fd882b2a",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HHP:LIG:J:A1A3Z:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:KUYQDJOFVBGZID-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:KUYQDJOFVBGZID-UHFFFAOYSA-N",
      "pdb_id": "7HHP",
      "ligand_instance_id": "PDB:7HHP:LIG:J:A1A3Z:103:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7HHP",
      "ccd_url": "https://www.rcsb.org/ligand/A1A3Z",
      "coordinate_sha256": "1c3b7d67c238bf0ad23d5d162842759e923a577a117f31d72b899460a8a4fe66",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGK:LIG:J:NW4:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:KUIOCGNNDZSGKS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:KUIOCGNNDZSGKS-UHFFFAOYSA-N",
      "pdb_id": "7HGK",
      "ligand_instance_id": "PDB:7HGK:LIG:J:NW4:103:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7HGK",
      "ccd_url": "https://www.rcsb.org/ligand/NW4",
      "coordinate_sha256": "74695119c47105bdac9c76599b7153cce941cd0578c62ce2d96ae448598f5508",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9I7C:LIG:G:DMS:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:IAZDPXIOMUYVGZ-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:IAZDPXIOMUYVGZ-UHFFFAOYSA-N",
      "pdb_id": "9I7C",
      "ligand_instance_id": "PDB:9I7C:LIG:G:DMS:101:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "solvent",
      "role_code": "solvent",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/9I7C",
      "ccd_url": "https://www.rcsb.org/ligand/DMS",
      "coordinate_sha256": "babfb2ebe98bc9ec324f6855694a3dcead238b2e3a72cfbda5b8d0506014bd1f",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9GRV:LIG:H:DMS:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:IAZDPXIOMUYVGZ-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:IAZDPXIOMUYVGZ-UHFFFAOYSA-N",
      "pdb_id": "9GRV",
      "ligand_instance_id": "PDB:9GRV:LIG:H:DMS:101:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "solvent",
      "role_code": "solvent",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/9GRV",
      "ccd_url": "https://www.rcsb.org/ligand/DMS",
      "coordinate_sha256": "bd3cc182301ffc15e36800312a460cb48626c939dc7fe4b6ae243b6c40e8837f",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGR:LIG:J:A1AM6:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:JMSBGUKOMZSBMF-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:JMSBGUKOMZSBMF-UHFFFAOYSA-N",
      "pdb_id": "7HGR",
      "ligand_instance_id": "PDB:7HGR:LIG:J:A1AM6:103:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7HGR",
      "ccd_url": "https://www.rcsb.org/ligand/A1AM6",
      "coordinate_sha256": "2ca1b4041b4c96b0e7749cd3d9aad022f01a1573bb2740a2e6a3bfbb904ed97f",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGV:LIG:K:A1A33:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:LZXLHLSTUPFULX-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:LZXLHLSTUPFULX-UHFFFAOYSA-N",
      "pdb_id": "7HGV",
      "ligand_instance_id": "PDB:7HGV:LIG:K:A1A33:103:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7HGV",
      "ccd_url": "https://www.rcsb.org/ligand/A1A33",
      "coordinate_sha256": "fe1cd4a27d551a8b13bcaa79554d9465554b4cef3df247fcbe05f1598bea4c6f",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HH8:LIG:I:EDO:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:LYCAIKOWRPUZTN-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:LYCAIKOWRPUZTN-UHFFFAOYSA-N",
      "pdb_id": "7HH8",
      "ligand_instance_id": "PDB:7HH8:LIG:I:EDO:101:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "cryoprotectant/additive",
      "role_code": "cryoprotectant",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/7HH8",
      "ccd_url": "https://www.rcsb.org/ligand/EDO",
      "coordinate_sha256": "3251ddf4154454b01892cc2df8128bc5179388b4d51210a6201d2324a8037aa3",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HH0:LIG:J:RYP:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:DNBWGFKLIBQQSL-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:DNBWGFKLIBQQSL-UHFFFAOYSA-N",
      "pdb_id": "7HH0",
      "ligand_instance_id": "PDB:7HH0:LIG:J:RYP:103:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7HH0",
      "ccd_url": "https://www.rcsb.org/ligand/RYP",
      "coordinate_sha256": "0c18dba4b9a8f66eff6ddcb52e8b131a65291eb9b3438c1530299b3d273ee994",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9GRU:LIG:G:PYZ:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:LLNQWPTUJJYTTE-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:LLNQWPTUJJYTTE-UHFFFAOYSA-N",
      "pdb_id": "9GRU",
      "ligand_instance_id": "PDB:9GRU:LIG:G:PYZ:101:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally studied ligand",
      "role_code": "reported_studied_structural_ligand",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/9GRU",
      "ccd_url": "https://www.rcsb.org/ligand/PYZ",
      "coordinate_sha256": "481160fdc641812244d0c1df4f35c0e6580c28aaa30fd87bb2a2cd1b980c486c",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HH5:LIG:I:EDO:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:LYCAIKOWRPUZTN-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:LYCAIKOWRPUZTN-UHFFFAOYSA-N",
      "pdb_id": "7HH5",
      "ligand_instance_id": "PDB:7HH5:LIG:I:EDO:101:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "cryoprotectant/additive",
      "role_code": "cryoprotectant",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/7HH5",
      "ccd_url": "https://www.rcsb.org/ligand/EDO",
      "coordinate_sha256": "058351dbd2e4ce165afbba57190f1b162ed25815113d630b5dc92a743056fbaa",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HHE:LIG:K:A1A38:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:DIBVGDONZMMHTK-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:DIBVGDONZMMHTK-UHFFFAOYSA-N",
      "pdb_id": "7HHE",
      "ligand_instance_id": "PDB:7HHE:LIG:K:A1A38:103:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7HHE",
      "ccd_url": "https://www.rcsb.org/ligand/A1A38",
      "coordinate_sha256": "7ec19fe862a32d2e45b19f4ec6caed24fc0d1778b7ba1d83733db11e1f83a78a",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HHL:LIG:J:A1A37:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:GOGVDMSQODUATE-JTQLQIEISA-N",
      "compound_id": "INCHIKEY:GOGVDMSQODUATE-JTQLQIEISA-N",
      "pdb_id": "7HHL",
      "ligand_instance_id": "PDB:7HHL:LIG:J:A1A37:103:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7HHL",
      "ccd_url": "https://www.rcsb.org/ligand/A1A37",
      "coordinate_sha256": "5c3ff9208e10407175821d9f94af972279196b43acbb0ca8dc11a8428973b8af",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9G94:LIG:G:A1D73:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:LKKNQJJSEMQTHQ-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:LKKNQJJSEMQTHQ-UHFFFAOYSA-N",
      "pdb_id": "9G94",
      "ligand_instance_id": "PDB:9G94:LIG:G:A1D73:101:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally studied ligand",
      "role_code": "reported_studied_structural_ligand",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/9G94",
      "ccd_url": "https://www.rcsb.org/ligand/A1D73",
      "coordinate_sha256": "77cc947e76da8d5e49e56df359b3db472fe81dbdfabfc36f99d53b3c18200802",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGX:LIG:J:A1A31:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:VUFBCWUJICCKDU-ZCFIWIBFSA-N",
      "compound_id": "INCHIKEY:VUFBCWUJICCKDU-ZCFIWIBFSA-N",
      "pdb_id": "7HGX",
      "ligand_instance_id": "PDB:7HGX:LIG:J:A1A31:103:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7HGX",
      "ccd_url": "https://www.rcsb.org/ligand/A1A31",
      "coordinate_sha256": "923b2cd504615210e771551558b2aa0691c239e2fddc6ec35b1591291913f3a5",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5NV2:LIG:E:SO4:403:.:SITE:UP:Q9UBC3:PWWP1:A",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "5NV2",
      "ligand_instance_id": "PDB:5NV2:LIG:E:SO4:403:.",
      "protein_id": "UP:Q9UBC3",
      "domain_id": "UP:Q9UBC3:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "broader_Pfam_PWWP_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/5NV2",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "90c69902789421dcb9c6982f74df193641fd6d84bf5163de125de814878ab7b1",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5NVO:LIG:D:SO4:402:.:SITE:UP:Q9UBC3:PWWP1:A",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "5NVO",
      "ligand_instance_id": "PDB:5NVO:LIG:D:SO4:402:.",
      "protein_id": "UP:Q9UBC3",
      "domain_id": "UP:Q9UBC3:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "broader_Pfam_PWWP_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/5NVO",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "2064abc26e049d5b45a8e32a53fa1536f42e4d3017076d719e8a29a5a6b4ae9c",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:3QKJ:LIG:G:SO4:4:.:SITE:UP:Q9UBC3:PWWP1:A",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "3QKJ",
      "ligand_instance_id": "PDB:3QKJ:LIG:G:SO4:4:.",
      "protein_id": "UP:Q9UBC3",
      "domain_id": "UP:Q9UBC3:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "broader_Pfam_PWWP_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/3QKJ",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "e94a2082f64ba107b7c13187a1af6dc528db6e5340be742ad57500d752199174",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:6G24:LIG:B:EH2:401:.:SITE:UP:Q9BZ95:PWWP1:A",
      "chemical_id": "INCHIKEY:ISSJZCAENPGUEW-BQYQJAHWSA-N",
      "compound_id": "INCHIKEY:ISSJZCAENPGUEW-BQYQJAHWSA-N",
      "pdb_id": "6G24",
      "ligand_instance_id": "PDB:6G24:LIG:B:EH2:401:.",
      "protein_id": "UP:Q9BZ95",
      "domain_id": "UP:Q9BZ95:PWWP1",
      "source_role": "experimentally studied ligand",
      "role_code": "reported_studied_structural_ligand",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/6G24",
      "ccd_url": "https://www.rcsb.org/ligand/EH2",
      "coordinate_sha256": "62eba139ed2e869ab368ee8e6432d8bae192e1c8ba651b01c3cde95d75cd5d7a",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:1KHC:LIG:N:UNX:175:.:SITE:UP:O88509:PWWP1:A",
      "chemical_id": "CCD_UNRESOLVED:UNX",
      "compound_id": "CCD_UNRESOLVED:UNX",
      "pdb_id": "1KHC",
      "ligand_instance_id": "PDB:1KHC:LIG:N:UNX:175:.",
      "protein_id": "UP:O88509",
      "domain_id": "UP:O88509:PWWP1",
      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "broader_Pfam_PWWP_contact",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/1KHC",
      "ccd_url": "https://www.rcsb.org/ligand/UNX",
      "coordinate_sha256": "74e6ef75c14272818121a250f29daee64bb2485d0fdf784911795a3d408e79d7",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:4N4G:LIG:C:PO4:402:.:SITE:UP:Q8R5C8:PWWP1:A",
      "chemical_id": "INCHIKEY:NBIIXXVUZAFLBC-UHFFFAOYSA-K",
      "compound_id": "INCHIKEY:NBIIXXVUZAFLBC-UHFFFAOYSA-K",
      "pdb_id": "4N4G",
      "ligand_instance_id": "PDB:4N4G:LIG:C:PO4:402:.",
      "protein_id": "UP:Q8R5C8",
      "domain_id": "UP:Q8R5C8:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/4N4G",
      "ccd_url": "https://www.rcsb.org/ligand/PO4",
      "coordinate_sha256": "09c84041074f997e0da769246ca10975646dd36ae29032fa490130f7f2beb56e",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:4N4H:LIG:D:PO4:402:.:SITE:UP:Q8R5C8:PWWP1:A",
      "chemical_id": "INCHIKEY:NBIIXXVUZAFLBC-UHFFFAOYSA-K",
      "compound_id": "INCHIKEY:NBIIXXVUZAFLBC-UHFFFAOYSA-K",
      "pdb_id": "4N4H",
      "ligand_instance_id": "PDB:4N4H:LIG:D:PO4:402:.",
      "protein_id": "UP:Q8R5C8",
      "domain_id": "UP:Q8R5C8:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/4N4H",
      "ccd_url": "https://www.rcsb.org/ligand/PO4",
      "coordinate_sha256": "846f4365d782c5d008d80fa1cf4e8093fac1a121993ce6c410e2b02c169141ae",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:4N4I:LIG:D:PO4:402:.:SITE:UP:Q8R5C8:PWWP1:A",
      "chemical_id": "INCHIKEY:NBIIXXVUZAFLBC-UHFFFAOYSA-K",
      "compound_id": "INCHIKEY:NBIIXXVUZAFLBC-UHFFFAOYSA-K",
      "pdb_id": "4N4I",
      "ligand_instance_id": "PDB:4N4I:LIG:D:PO4:402:.",
      "protein_id": "UP:Q8R5C8",
      "domain_id": "UP:Q8R5C8:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/4N4I",
      "ccd_url": "https://www.rcsb.org/ligand/PO4",
      "coordinate_sha256": "22a5534c64dcd73b49a3c3f2f9e41896c5689ca25449ef8a86993159e5db235c",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:1KHC:LIG:O:UNX:176:.:SITE:UP:O88509:PWWP1:A",
      "chemical_id": "CCD_UNRESOLVED:UNX",
      "compound_id": "CCD_UNRESOLVED:UNX",
      "pdb_id": "1KHC",
      "ligand_instance_id": "PDB:1KHC:LIG:O:UNX:176:.",
      "protein_id": "UP:O88509",
      "domain_id": "UP:O88509:PWWP1",
      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "broader_Pfam_PWWP_contact",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/1KHC",
      "ccd_url": "https://www.rcsb.org/ligand/UNX",
      "coordinate_sha256": "74e6ef75c14272818121a250f29daee64bb2485d0fdf784911795a3d408e79d7",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:1KHC:LIG:P:UNX:177:.:SITE:UP:O88509:PWWP1:A",
      "chemical_id": "CCD_UNRESOLVED:UNX",
      "compound_id": "CCD_UNRESOLVED:UNX",
      "pdb_id": "1KHC",
      "ligand_instance_id": "PDB:1KHC:LIG:P:UNX:177:.",
      "protein_id": "UP:O88509",
      "domain_id": "UP:O88509:PWWP1",
      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "broader_Pfam_PWWP_contact",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/1KHC",
      "ccd_url": "https://www.rcsb.org/ligand/UNX",
      "coordinate_sha256": "74e6ef75c14272818121a250f29daee64bb2485d0fdf784911795a3d408e79d7",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9KNA:LIG:D:SO4:402:.:SITE:UP:O96028:PWWP1:A",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "9KNA",
      "ligand_instance_id": "PDB:9KNA:LIG:D:SO4:402:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "broader_Pfam_PWWP_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/9KNA",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "21757b20303ea68cd50bffdfa7659337c135d9e7492ac4d656b0f3f865cfdacf",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7LMT:LIG:J:UNX:402:.:SITE:UP:O96028:PWWP1:A",
      "chemical_id": "CCD_UNRESOLVED:UNX",
      "compound_id": "CCD_UNRESOLVED:UNX",
      "pdb_id": "7LMT",
      "ligand_instance_id": "PDB:7LMT:LIG:J:UNX:402:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "broader_Pfam_PWWP_contact",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7LMT",
      "ccd_url": "https://www.rcsb.org/ligand/UNX",
      "coordinate_sha256": "fb452dcc9ac176dd436a568f45cd7c3bec865b2422bfae1f7d54a214d9cff6c0",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7MDN:LIG:J:UNX:402:.:SITE:UP:O96028:PWWP1:A",
      "chemical_id": "CCD_UNRESOLVED:UNX",
      "compound_id": "CCD_UNRESOLVED:UNX",
      "pdb_id": "7MDN",
      "ligand_instance_id": "PDB:7MDN:LIG:J:UNX:402:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "broader_Pfam_PWWP_contact",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7MDN",
      "ccd_url": "https://www.rcsb.org/ligand/UNX",
      "coordinate_sha256": "411eea421108aa7f0e46d8c191904297040016aeabc0f48ef43d4a7503888c2a",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5VC8:LIG:Y:UNX:419:.:SITE:UP:O96028:PWWP1:A",
      "chemical_id": "CCD_UNRESOLVED:UNX",
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      "ligand_instance_id": "PDB:5VC8:LIG:Y:UNX:419:.",
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      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
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    },
    {
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      "ligand_instance_id": "PDB:5VC8:LIG:KA:UNX:411:.",
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      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
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    },
    {
      "site_id": "PDB:5VC8:LIG:J:UNX:404:.:SITE:UP:O96028:PWWP1:A",
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    },
    {
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      "ligand_instance_id": "PDB:7HGZ:LIG:I:EDO:101:.",
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      "domain_id": "UP:Q7Z4V5:PWWP1",
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    },
    {
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      "chemical_id": "INCHIKEY:LYCAIKOWRPUZTN-UHFFFAOYSA-N",
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    },
    {
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      "source_role": "experimentally deposited fragment",
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    },
    {
      "site_id": "PDB:9I7I:LIG:F:EDO:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
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    {
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    },
    {
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    },
    {
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    },
    {
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    {
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    {
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    {
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    {
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    },
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    {
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    {
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    {
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    },
    {
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    },
    {
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    },
    {
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    {
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    },
    {
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    },
    {
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    },
    {
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    {
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    },
    {
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    },
    {
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    {
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    {
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    {
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    {
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      "ligand_instance_id": "PDB:7HGR:LIG:H:SO4:101:.",
      "protein_id": "UP:Q7Z4V5",
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      "source_role": "ion/additive",
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      "ccd_url": "https://www.rcsb.org/ligand/SO4",
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      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HHO:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
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      "ligand_instance_id": "PDB:7HHO:LIG:H:SO4:101:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "ion/additive",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HH9:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
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      "pdb_id": "7HH9",
      "ligand_instance_id": "PDB:7HH9:LIG:H:SO4:101:.",
      "protein_id": "UP:Q7Z4V5",
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      "source_role": "ion/additive",
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      "ccd_url": "https://www.rcsb.org/ligand/SO4",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HHP:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
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      "ligand_instance_id": "PDB:7HHP:LIG:H:SO4:101:.",
      "protein_id": "UP:Q7Z4V5",
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      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
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      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/7HHP",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9I7I:LIG:G:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
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      "ligand_instance_id": "PDB:9I7I:LIG:G:SO4:102:.",
      "protein_id": "UP:Q7Z4V5",
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      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
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      "ccd_url": "https://www.rcsb.org/ligand/SO4",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGV:LIG:I:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
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      "ligand_instance_id": "PDB:7HGV:LIG:I:SO4:101:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
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      "ccd_url": "https://www.rcsb.org/ligand/SO4",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HH3:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
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      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "7HH3",
      "ligand_instance_id": "PDB:7HH3:LIG:H:SO4:101:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "ion/additive",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HH5:LIG:J:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
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      "ligand_instance_id": "PDB:7HH5:LIG:J:SO4:102:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "ion/additive",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "protein_id": "UP:Q7Z4V5",
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      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
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      "exact_pwwp_contact": true,
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      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/7HHA",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "ligand_instance_id": "PDB:7HGM:LIG:I:SO4:101:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
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      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/7HGM",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "ligand_instance_id": "PDB:7HH8:LIG:J:SO4:102:.",
      "protein_id": "UP:Q7Z4V5",
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      "source_role": "ion/additive",
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      "observed_other_component": true,
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      "ccd_url": "https://www.rcsb.org/ligand/SO4",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "source_role": "ion/additive",
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      "observed_other_component": true,
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      "ccd_url": "https://www.rcsb.org/ligand/SO4",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "source_role": "ion/additive",
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      "verification_status": "phase5_derived_deposited_geometry",
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "ligand_instance_id": "PDB:3PMI:LIG:F:PEG:10:.",
      "protein_id": "UP:Q2TAK8",
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      "source_role": "crystallization additive",
      "role_code": "crystallization_additive",
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      "exact_pwwp_contact": true,
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    },
    {
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      "verification_status": "phase5_derived_deposited_geometry",
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "verification_status": "phase5_derived_deposited_geometry",
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    },
    {
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      "ligand_instance_id": "PDB:3QBY:LIG:I:UNX:98:.",
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      "source_role": "unknown chemical component",
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "ligand_instance_id": "PDB:4LD6:LIG:E:UNX:3004:.",
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      "source_role": "unknown chemical component",
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      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
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    },
    {
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      "source_role": "unknown chemical component",
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    },
    {
      "site_id": "PDB:4LD6:LIG:B:GOL:3001:.:SITE:UP:Q6NUJ5:PWWP1:A",
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      "source_role": "cryoprotectant/additive",
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      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
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    },
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      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
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    },
    {
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    },
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      "source_role": "crystallization additive",
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
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      "verification_status": "phase5_derived_deposited_geometry",
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
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    {
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    },
    {
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    },
    {
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    },
    {
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    },
    {
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    },
    {
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    },
    {
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    },
    {
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    },
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    },
    {
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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    },
    {
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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    },
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    },
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    },
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    },
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    },
    {
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HG2:LIG:H:SO4:105:.:SITE:UP:Q7Z4V5:PWWP1:A",
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      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "7HG2",
      "ligand_instance_id": "PDB:7HG2:LIG:H:SO4:105:.",
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      "source_role": "ion/additive",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGO:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:A",
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      "ligand_instance_id": "PDB:7HGO:LIG:G:SO4:104:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "ion/additive",
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      "ccd_url": "https://www.rcsb.org/ligand/SO4",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGI:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:A",
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      "ligand_instance_id": "PDB:7HGI:LIG:G:SO4:104:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "ion/additive",
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      "contact_class": "broader_Pfam_PWWP_contact",
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      "observed_other_component": true,
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      "ccd_url": "https://www.rcsb.org/ligand/SO4",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HHF:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:A",
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      "ligand_instance_id": "PDB:7HHF:LIG:G:SO4:104:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "ion/additive",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HH8:LIG:H:SO4:105:.:SITE:UP:Q7Z4V5:PWWP1:A",
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      "ligand_instance_id": "PDB:7HH8:LIG:H:SO4:105:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGD:LIG:H:SO4:105:.:SITE:UP:Q7Z4V5:PWWP1:A",
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      "ligand_instance_id": "PDB:7HGD:LIG:H:SO4:105:.",
      "protein_id": "UP:Q7Z4V5",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGY:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:A",
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      "ligand_instance_id": "PDB:7HGY:LIG:G:SO4:104:.",
      "protein_id": "UP:Q7Z4V5",
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      "source_role": "ion/additive",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HHJ:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:A",
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      "protein_id": "UP:Q7Z4V5",
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      "source_role": "ion/additive",
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      "verification_status": "phase5_derived_deposited_geometry",
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HG8:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:A",
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      "ccd_url": "https://www.rcsb.org/ligand/SO4",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "ligand_instance_id": "PDB:7HGA:LIG:G:SO4:104:.",
      "protein_id": "UP:Q7Z4V5",
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      "source_role": "ion/additive",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HH9:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:A",
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      "protein_id": "UP:Q7Z4V5",
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      "source_role": "ion/additive",
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      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGZ:LIG:H:SO4:105:.:SITE:UP:Q7Z4V5:PWWP1:A",
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      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HHK:LIG:H:SO4:105:.:SITE:UP:Q7Z4V5:PWWP1:A",
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      "source_role": "ion/additive",
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "protein_id": "UP:Q7Z4V5",
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      "source_role": "ion/additive",
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HH4:LIG:H:SO4:105:.:SITE:UP:Q7Z4V5:PWWP1:A",
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      "ligand_instance_id": "PDB:7HH4:LIG:H:SO4:105:.",
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGC:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:A",
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      "ligand_instance_id": "PDB:7HGC:LIG:G:SO4:104:.",
      "protein_id": "UP:Q7Z4V5",
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HHA:LIG:H:SO4:105:.:SITE:UP:Q7Z4V5:PWWP1:A",
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      "ligand_instance_id": "PDB:7HHA:LIG:H:SO4:105:.",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
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    },
    {
      "site_id": "PDB:7HGF:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:A",
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      "ligand_instance_id": "PDB:7HGF:LIG:G:SO4:104:.",
      "protein_id": "UP:Q7Z4V5",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HH5:LIG:H:SO4:105:.:SITE:UP:Q7Z4V5:PWWP1:A",
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    },
    {
      "site_id": "PDB:7HH2:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:A",
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    },
    {
      "site_id": "PDB:7HH0:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:A",
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      "protein_id": "UP:Q7Z4V5",
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      "source_role": "ion/additive",
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    },
    {
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "ligand_instance_id": "PDB:7HH7:LIG:G:SO4:104:.",
      "protein_id": "UP:Q7Z4V5",
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      "verification_status": "phase5_derived_deposited_geometry",
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HHL:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:A",
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    },
    {
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    },
    {
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HG6:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:A",
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      "ccd_url": "https://www.rcsb.org/ligand/SO4",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGK:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:A",
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      "ligand_instance_id": "PDB:7HGK:LIG:G:SO4:104:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "ion/additive",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HG4:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:A",
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      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
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      "source_url": "https://www.rcsb.org/structure/7HG4",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HHN:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:A",
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      "pdb_id": "7HHN",
      "ligand_instance_id": "PDB:7HHN:LIG:G:SO4:104:.",
      "protein_id": "UP:Q7Z4V5",
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      "source_role": "ion/additive",
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      "ccd_url": "https://www.rcsb.org/ligand/SO4",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGJ:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:A",
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      "ligand_instance_id": "PDB:7HGJ:LIG:G:SO4:104:.",
      "protein_id": "UP:Q7Z4V5",
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      "source_role": "ion/additive",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HG0:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:A",
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      "protein_id": "UP:Q7Z4V5",
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      "source_role": "ion/additive",
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      "ccd_url": "https://www.rcsb.org/ligand/SO4",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGU:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:A",
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      "protein_id": "UP:Q7Z4V5",
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      "source_role": "ion/additive",
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      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "source_role": "ion/additive",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "protein_id": "UP:Q7Z4V5",
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      "source_role": "ion/additive",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HG1:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:A",
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      "source_role": "ion/additive",
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      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HHF:LIG:D:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HG5:LIG:D:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "source_role": "ion/additive",
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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    },
    {
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGM:LIG:D:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
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    },
    {
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    },
    {
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    },
    {
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    },
    {
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    },
    {
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    },
    {
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    },
    {
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    },
    {
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    },
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    },
    {
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    },
    {
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    },
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HG4:LIG:D:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HHE:LIG:D:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
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    },
    {
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      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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    },
    {
      "site_id": "PDB:9GRV:LIG:F:SO4:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
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    },
    {
      "site_id": "PDB:7HG0:LIG:D:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
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      "source_role": "ion/additive",
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    },
    {
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HHM:LIG:D:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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    },
    {
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    },
    {
      "site_id": "PDB:7HH7:LIG:D:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
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    },
    {
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    },
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    },
    {
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    },
    {
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    },
    {
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    },
    {
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    },
    {
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    },
    {
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    },
    {
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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    },
    {
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    },
    {
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    },
    {
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    },
    {
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    },
    {
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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    },
    {
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      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGS:LIG:D:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
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      "ligand_instance_id": "PDB:7HGS:LIG:D:SO4:101:.",
      "protein_id": "UP:Q7Z4V5",
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      "ccd_url": "https://www.rcsb.org/ligand/SO4",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HHK:LIG:D:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
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      "ligand_instance_id": "PDB:7HHK:LIG:D:SO4:101:.",
      "protein_id": "UP:Q7Z4V5",
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      "source_role": "ion/additive",
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      "ccd_url": "https://www.rcsb.org/ligand/SO4",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGQ:LIG:D:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
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      "ligand_instance_id": "PDB:7HGQ:LIG:D:SO4:101:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "ion/additive",
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      "source_url": "https://www.rcsb.org/structure/7HGQ",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HG1:LIG:D:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9I7I:LIG:D:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
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      "ligand_instance_id": "PDB:9I7I:LIG:D:SO4:101:.",
      "protein_id": "UP:Q7Z4V5",
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      "verification_status": "phase5_derived_deposited_geometry",
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9GRS:LIG:F:SO4:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "ligand_instance_id": "PDB:9GRU:LIG:E:SO4:102:.",
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      "source_role": "ion/additive",
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      "verification_status": "phase5_derived_deposited_geometry",
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "protein_id": "UP:Q7Z4V5",
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      "source_role": "ion/additive",
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      "ccd_url": "https://www.rcsb.org/ligand/SO4",
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      "verification_status": "phase5_derived_deposited_geometry",
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "protein_id": "UP:Q7Z4V5",
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      "ccd_url": "https://www.rcsb.org/ligand/SO4",
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      "verification_status": "phase5_derived_deposited_geometry",
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:8Z6C:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
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      "verification_status": "phase5_derived_deposited_geometry",
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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    },
    {
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    },
    {
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    },
    {
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      "source_role": "unknown chemical component",
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:6IIP:LIG:D:SO4:102:.:SITE:UP:Q9Y3E1:PWWP1:A",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "6IIP",
      "ligand_instance_id": "PDB:6IIP:LIG:D:SO4:102:.",
      "protein_id": "UP:Q9Y3E1",
      "domain_id": "UP:Q9Y3E1:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
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      "contact_class": "broader_Pfam_PWWP_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/6IIP",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9I7D:LIG:I:SO4:202:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
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      "ligand_instance_id": "PDB:9I7D:LIG:I:SO4:202:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
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      "exact_pwwp_contact": true,
      "contact_class": "broader_Pfam_PWWP_contact",
      "structural_research_ligand": false,
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      "source_url": "https://www.rcsb.org/structure/9I7D",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:3QBY:LIG:G:UNX:96:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "CCD_UNRESOLVED:UNX",
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      "ligand_instance_id": "PDB:3QBY:LIG:G:UNX:96:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
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      "exact_pwwp_contact": false,
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      "structural_research_ligand": false,
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      "source_url": "https://www.rcsb.org/structure/3QBY",
      "ccd_url": "https://www.rcsb.org/ligand/UNX",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9G96:LIG:J:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "9G96",
      "ligand_instance_id": "PDB:9G96:LIG:J:SO4:104:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "broader_Pfam_PWWP_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/9G96",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "db835a0c10cdf7b71baef223f6c406631cc9ba018ebe804c89b249dba0089c0a",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9G91:LIG:H:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
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      "pdb_id": "9G91",
      "ligand_instance_id": "PDB:9G91:LIG:H:SO4:102:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
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      "exact_pwwp_contact": true,
      "contact_class": "broader_Pfam_PWWP_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/9G91",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9I7B:LIG:G:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "9I7B",
      "ligand_instance_id": "PDB:9I7B:LIG:G:SO4:102:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "broader_Pfam_PWWP_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/9I7B",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:4FU6:LIG:J:UNX:209:.:SITE:UP:O75475:PWWP1:A",
      "chemical_id": "CCD_UNRESOLVED:UNX",
      "compound_id": "CCD_UNRESOLVED:UNX",
      "pdb_id": "4FU6",
      "ligand_instance_id": "PDB:4FU6:LIG:J:UNX:209:.",
      "protein_id": "UP:O75475",
      "domain_id": "UP:O75475:PWWP1",
      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
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      "contact_class": "broader_Pfam_PWWP_contact",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/4FU6",
      "ccd_url": "https://www.rcsb.org/ligand/UNX",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:3QBY:LIG:E:UNX:94:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "CCD_UNRESOLVED:UNX",
      "compound_id": "CCD_UNRESOLVED:UNX",
      "pdb_id": "3QBY",
      "ligand_instance_id": "PDB:3QBY:LIG:E:UNX:94:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "native_annotation_core_contact",
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      "source_url": "https://www.rcsb.org/structure/3QBY",
      "ccd_url": "https://www.rcsb.org/ligand/UNX",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:4Z02:LIG:J:UNX:1108:.:SITE:UP:O95696:PWWP1:A",
      "chemical_id": "CCD_UNRESOLVED:UNX",
      "compound_id": "CCD_UNRESOLVED:UNX",
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      "ligand_instance_id": "PDB:4Z02:LIG:J:UNX:1108:.",
      "protein_id": "UP:O95696",
      "domain_id": "UP:O95696:PWWP1",
      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/4Z02",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:4Z02:LIG:D:EDO:1102:.:SITE:UP:O95696:PWWP1:A",
      "chemical_id": "INCHIKEY:LYCAIKOWRPUZTN-UHFFFAOYSA-N",
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      "pdb_id": "4Z02",
      "ligand_instance_id": "PDB:4Z02:LIG:D:EDO:1102:.",
      "protein_id": "UP:O95696",
      "domain_id": "UP:O95696:PWWP1",
      "source_role": "cryoprotectant/additive",
      "role_code": "cryoprotectant",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/4Z02",
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      "coordinate_sha256": "4845453d35b02dbb549d6634f82d209e4ec7a4b1c71ec02c869eea9e8bf3c2b9",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:4Z02:LIG:I:UNX:1107:.:SITE:UP:O95696:PWWP1:A",
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      "ligand_instance_id": "PDB:4Z02:LIG:I:UNX:1107:.",
      "protein_id": "UP:O95696",
      "domain_id": "UP:O95696:PWWP1",
      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
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      "exact_pwwp_contact": false,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
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      "source_url": "https://www.rcsb.org/structure/4Z02",
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      "coordinate_sha256": "4845453d35b02dbb549d6634f82d209e4ec7a4b1c71ec02c869eea9e8bf3c2b9",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "protein_id": "UP:O95696",
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      "source_role": "experimentally deposited ligand",
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      "role_group": "research_ligand",
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      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
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      "source_url": "https://www.rcsb.org/structure/4Z02",
      "ccd_url": "https://www.rcsb.org/ligand/4K8",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:3LYI:LIG:C:OCS:1500:.:SITE:UP:O95696:PWWP1:A",
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      "ligand_instance_id": "PDB:3LYI:LIG:C:OCS:1500:.",
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      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
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      "exact_pwwp_contact": true,
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "ligand_instance_id": "PDB:4Z02:LIG:E:UNX:1103:.",
      "protein_id": "UP:O95696",
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      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
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      "exact_pwwp_contact": false,
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "protein_id": "UP:O95696",
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      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "protein_id": "UP:O95696",
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      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:4RXJ:LIG:B:UNX:1101:.:SITE:UP:Q9BZ95:PWWP2:A",
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      "compound_id": "CCD_UNRESOLVED:UNX",
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      "ligand_instance_id": "PDB:4RXJ:LIG:B:UNX:1101:.",
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      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
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      "exact_pwwp_contact": false,
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:4RXJ:LIG:I:UNX:1108:.:SITE:UP:Q9BZ95:PWWP2:A",
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      "source_role": "unknown chemical component",
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      "source_url": "https://www.rcsb.org/structure/4RXJ",
      "ccd_url": "https://www.rcsb.org/ligand/UNX",
      "coordinate_sha256": "cc81bcf3c5700c5f8333dbc7abff58b44e20b1c9647365431f5d0c5f8f90dea3",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:4RXJ:LIG:C:UNX:1102:.:SITE:UP:Q9BZ95:PWWP2:A",
      "chemical_id": "CCD_UNRESOLVED:UNX",
      "compound_id": "CCD_UNRESOLVED:UNX",
      "pdb_id": "4RXJ",
      "ligand_instance_id": "PDB:4RXJ:LIG:C:UNX:1102:.",
      "protein_id": "UP:Q9BZ95",
      "domain_id": "UP:Q9BZ95:PWWP2",
      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/4RXJ",
      "ccd_url": "https://www.rcsb.org/ligand/UNX",
      "coordinate_sha256": "cc81bcf3c5700c5f8333dbc7abff58b44e20b1c9647365431f5d0c5f8f90dea3",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:4RXJ:LIG:H:UNX:1107:.:SITE:UP:Q9BZ95:PWWP2:A",
      "chemical_id": "CCD_UNRESOLVED:UNX",
      "compound_id": "CCD_UNRESOLVED:UNX",
      "pdb_id": "4RXJ",
      "ligand_instance_id": "PDB:4RXJ:LIG:H:UNX:1107:.",
      "protein_id": "UP:Q9BZ95",
      "domain_id": "UP:Q9BZ95:PWWP2",
      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/4RXJ",
      "ccd_url": "https://www.rcsb.org/ligand/UNX",
      "coordinate_sha256": "cc81bcf3c5700c5f8333dbc7abff58b44e20b1c9647365431f5d0c5f8f90dea3",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:6OQM:LIG:E:SO4:204:.:SITE:UP:P52701:PWWP1:A",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "6OQM",
      "ligand_instance_id": "PDB:6OQM:LIG:E:SO4:204:.",
      "protein_id": "UP:P52701",
      "domain_id": "UP:P52701:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/6OQM",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "a56fb9d51ad4436d3d8bd187a570af2e5abb25e5e52e2e3b8d472ba15d2dfed5",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:6OQM:LIG:G:SO4:206:.:SITE:UP:P52701:PWWP1:A",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "6OQM",
      "ligand_instance_id": "PDB:6OQM:LIG:G:SO4:206:.",
      "protein_id": "UP:P52701",
      "domain_id": "UP:P52701:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/6OQM",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "a56fb9d51ad4436d3d8bd187a570af2e5abb25e5e52e2e3b8d472ba15d2dfed5",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:6OQM:LIG:J:UNX:209:.:SITE:UP:P52701:PWWP1:A",
      "chemical_id": "CCD_UNRESOLVED:UNX",
      "compound_id": "CCD_UNRESOLVED:UNX",
      "pdb_id": "6OQM",
      "ligand_instance_id": "PDB:6OQM:LIG:J:UNX:209:.",
      "protein_id": "UP:P52701",
      "domain_id": "UP:P52701:PWWP1",
      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/6OQM",
      "ccd_url": "https://www.rcsb.org/ligand/UNX",
      "coordinate_sha256": "a56fb9d51ad4436d3d8bd187a570af2e5abb25e5e52e2e3b8d472ba15d2dfed5",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:3QBY:LIG:P:UNX:105:.:SITE:UP:Q7Z4V5:PWWP1:A",
      "chemical_id": "CCD_UNRESOLVED:UNX",
      "compound_id": "CCD_UNRESOLVED:UNX",
      "pdb_id": "3QBY",
      "ligand_instance_id": "PDB:3QBY:LIG:P:UNX:105:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/3QBY",
      "ccd_url": "https://www.rcsb.org/ligand/UNX",
      "coordinate_sha256": "4f5a434d2509ed7339960ff4604249a6c018761b14e740b671f8a7013873a3b2",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:3PFS:LIG:E:ZN:1200:.:SITE:UP:Q9ULD4:PWWP1:B",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "3PFS",
      "ligand_instance_id": "PDB:3PFS:LIG:E:ZN:1200:.",
      "protein_id": "UP:Q9ULD4",
      "domain_id": "UP:Q9ULD4:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/3PFS",
      "ccd_url": "https://www.rcsb.org/ligand/ZN",
      "coordinate_sha256": "b4c99ae57b91da3164d714f3db6c7466119e64c40dfd8e260cd338d21d5a3ab8",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:8Z6C:LIG:G:A1D73:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
      "chemical_id": "INCHIKEY:LKKNQJJSEMQTHQ-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:LKKNQJJSEMQTHQ-UHFFFAOYSA-N",
      "pdb_id": "8Z6C",
      "ligand_instance_id": "PDB:8Z6C:LIG:G:A1D73:101:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally studied ligand",
      "role_code": "reported_studied_structural_ligand",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/8Z6C",
      "ccd_url": "https://www.rcsb.org/ligand/A1D73",
      "coordinate_sha256": "a52b0ce0d915a4ec6357f5dce14e0dbbacdb5fa856c24981a9187cf4168156c2",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9I7D:LIG:H:GOL:201:.:SITE:UP:Q7Z4V5:PWWP1:B",
      "chemical_id": "INCHIKEY:PEDCQBHIVMGVHV-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PEDCQBHIVMGVHV-UHFFFAOYSA-N",
      "pdb_id": "9I7D",
      "ligand_instance_id": "PDB:9I7D:LIG:H:GOL:201:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "cryoprotectant/additive",
      "role_code": "cryoprotectant",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/9I7D",
      "ccd_url": "https://www.rcsb.org/ligand/GOL",
      "coordinate_sha256": "75baf00d0de5d2fed6806f9200bc6ae3cdae675a8a9bec694d5e801ce95be652",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9G96:LIG:G:A1II2:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
      "chemical_id": "INCHIKEY:XYXFWJIPNFLQRI-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:XYXFWJIPNFLQRI-UHFFFAOYSA-N",
      "pdb_id": "9G96",
      "ligand_instance_id": "PDB:9G96:LIG:G:A1II2:101:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally studied ligand",
      "role_code": "reported_studied_structural_ligand",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/9G96",
      "ccd_url": "https://www.rcsb.org/ligand/A1II2",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9GRU:LIG:G:PYZ:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
      "chemical_id": "INCHIKEY:LLNQWPTUJJYTTE-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:LLNQWPTUJJYTTE-UHFFFAOYSA-N",
      "pdb_id": "9GRU",
      "ligand_instance_id": "PDB:9GRU:LIG:G:PYZ:101:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally studied ligand",
      "role_code": "reported_studied_structural_ligand",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/9GRU",
      "ccd_url": "https://www.rcsb.org/ligand/PYZ",
      "coordinate_sha256": "481160fdc641812244d0c1df4f35c0e6580c28aaa30fd87bb2a2cd1b980c486c",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9G91:LIG:G:A1II3:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
      "chemical_id": "INCHIKEY:ZSRUKYFBDGVFQS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:ZSRUKYFBDGVFQS-UHFFFAOYSA-N",
      "pdb_id": "9G91",
      "ligand_instance_id": "PDB:9G91:LIG:G:A1II3:101:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally studied ligand",
      "role_code": "reported_studied_structural_ligand",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/9G91",
      "ccd_url": "https://www.rcsb.org/ligand/A1II3",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9G94:LIG:G:A1D73:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
      "chemical_id": "INCHIKEY:LKKNQJJSEMQTHQ-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:LKKNQJJSEMQTHQ-UHFFFAOYSA-N",
      "pdb_id": "9G94",
      "ligand_instance_id": "PDB:9G94:LIG:G:A1D73:101:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally studied ligand",
      "role_code": "reported_studied_structural_ligand",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/9G94",
      "ccd_url": "https://www.rcsb.org/ligand/A1D73",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGW:LIG:J:A1A32:103:.:SITE:UP:Q7Z4V5:PWWP1:B",
      "chemical_id": "INCHIKEY:HXLOQIXEAPZOSG-QMMMGPOBSA-N",
      "compound_id": "INCHIKEY:HXLOQIXEAPZOSG-QMMMGPOBSA-N",
      "pdb_id": "7HGW",
      "ligand_instance_id": "PDB:7HGW:LIG:J:A1A32:103:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7HGW",
      "ccd_url": "https://www.rcsb.org/ligand/A1A32",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGT:LIG:J:A1A3R:103:.:SITE:UP:Q7Z4V5:PWWP1:B",
      "chemical_id": "INCHIKEY:WFCPFRCXTJZDAM-RQJHMYQMSA-N",
      "compound_id": "INCHIKEY:WFCPFRCXTJZDAM-RQJHMYQMSA-N",
      "pdb_id": "7HGT",
      "ligand_instance_id": "PDB:7HGT:LIG:J:A1A3R:103:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7HGT",
      "ccd_url": "https://www.rcsb.org/ligand/A1A3R",
      "coordinate_sha256": "a107fb099de003d1d957a6e83547aa44668cf35f9700f55688355b71c138882c",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:8Z6C:LIG:H:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:B",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "8Z6C",
      "ligand_instance_id": "PDB:8Z6C:LIG:H:SO4:102:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/8Z6C",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "a52b0ce0d915a4ec6357f5dce14e0dbbacdb5fa856c24981a9187cf4168156c2",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9I7B:LIG:H:SO4:103:.:SITE:UP:Q7Z4V5:PWWP1:B",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "9I7B",
      "ligand_instance_id": "PDB:9I7B:LIG:H:SO4:103:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/9I7B",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
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    },
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    },
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    },
    {
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    {
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    {
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    {
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    {
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      "ccd_url": "https://www.rcsb.org/ligand/SO4",
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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    },
    {
      "site_id": "PDB:9GRT:LIG:I:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:B",
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      "verification_status": "phase5_derived_deposited_geometry",
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    },
    {
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      "ligand_instance_id": "PDB:7HG3:LIG:J:SO4:102:.",
      "protein_id": "UP:Q7Z4V5",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HH4:LIG:J:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:B",
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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    },
    {
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    },
    {
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "source_role": "ion/additive",
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HH5:LIG:K:SO4:103:.:SITE:UP:Q7Z4V5:PWWP1:B",
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    },
    {
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    {
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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    },
    {
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
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    {
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    },
    {
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGG:LIG:I:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:B",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "7HGG",
      "ligand_instance_id": "PDB:7HGG:LIG:I:SO4:102:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/7HGG",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "5da158f87adcb23832a391a2583061662ea6b868d4f34709b21174a08fbfdc8a",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGH:LIG:I:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:B",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "7HGH",
      "ligand_instance_id": "PDB:7HGH:LIG:I:SO4:102:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/7HGH",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "e8175d471c5215a7106b7213ee03086e157c659d0f8c163ee2397889e9ffb071",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HH8:LIG:K:SO4:103:.:SITE:UP:Q7Z4V5:PWWP1:B",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "7HH8",
      "ligand_instance_id": "PDB:7HH8:LIG:K:SO4:103:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/7HH8",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "3251ddf4154454b01892cc2df8128bc5179388b4d51210a6201d2324a8037aa3",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HHR:LIG:I:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:B",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "7HHR",
      "ligand_instance_id": "PDB:7HHR:LIG:I:SO4:102:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/7HHR",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "7fef6ac7429ee7acbeaec8c3cfa8ad9f497bfd952d20c252fa4eef458ca62aac",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGW:LIG:I:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:B",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "7HGW",
      "ligand_instance_id": "PDB:7HGW:LIG:I:SO4:102:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/7HGW",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "6dbdfa4ff41e043f15740d8500f8208c46bf66a1abc473923aec759755e1c310",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGL:LIG:I:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:B",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "7HGL",
      "ligand_instance_id": "PDB:7HGL:LIG:I:SO4:102:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/7HGL",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "91c262b125e9110110e8d2c8f8bdaa49b0ee49c11fefa4532511fee0fd882b2a",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9I7D:LIG:J:SO4:203:.:SITE:UP:Q7Z4V5:PWWP1:B",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "9I7D",
      "ligand_instance_id": "PDB:9I7D:LIG:J:SO4:203:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/9I7D",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "75baf00d0de5d2fed6806f9200bc6ae3cdae675a8a9bec694d5e801ce95be652",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGQ:LIG:I:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:B",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "7HGQ",
      "ligand_instance_id": "PDB:7HGQ:LIG:I:SO4:102:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/7HGQ",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "d0b40399ea633fa30c029195678df2fc7f3549e85a2f116247092761b4be7d55",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:8Z6O:LIG:D:QMR:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
      "chemical_id": "INCHIKEY:JQSHBVHOMNKWFT-DTORHVGOSA-N",
      "compound_id": "INCHIKEY:JQSHBVHOMNKWFT-DTORHVGOSA-N",
      "pdb_id": "8Z6O",
      "ligand_instance_id": "PDB:8Z6O:LIG:D:QMR:101:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally studied ligand",
      "role_code": "reported_studied_structural_ligand",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/8Z6O",
      "ccd_url": "https://www.rcsb.org/ligand/QMR",
      "coordinate_sha256": "80d1a2369d1ebdb0aa342c4273e6641a37cb6e245960b063aeeea5a83bd64ba9",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9S81:LIG:D:CXS:101:.:SITE:UP:O75475:PWWP1:A",
      "chemical_id": "INCHIKEY:PJWWRFATQTVXHA-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PJWWRFATQTVXHA-UHFFFAOYSA-N",
      "pdb_id": "9S81",
      "ligand_instance_id": "PDB:9S81:LIG:D:CXS:101:.",
      "protein_id": "UP:O75475",
      "domain_id": "UP:O75475:PWWP1",
      "source_role": "buffer/additive",
      "role_code": "buffer_component",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/9S81",
      "ccd_url": "https://www.rcsb.org/ligand/CXS",
      "coordinate_sha256": "dc382a953062d48af9aa860717e40f01a0b8060afeb80d589608f1424e1807c3",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HHI:LIG:J:A1H9V:103:.:SITE:UP:Q7Z4V5:PWWP1:B",
      "chemical_id": "INCHIKEY:HEIPZBCMZXCIPT-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:HEIPZBCMZXCIPT-UHFFFAOYSA-N",
      "pdb_id": "7HHI",
      "ligand_instance_id": "PDB:7HHI:LIG:J:A1H9V:103:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7HHI",
      "ccd_url": "https://www.rcsb.org/ligand/A1H9V",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HH9:LIG:J:A1A3W:103:.:SITE:UP:Q7Z4V5:PWWP1:B",
      "chemical_id": "INCHIKEY:LOFCJGPTBIGJGR-SECBINFHSA-N",
      "compound_id": "INCHIKEY:LOFCJGPTBIGJGR-SECBINFHSA-N",
      "pdb_id": "7HH9",
      "ligand_instance_id": "PDB:7HH9:LIG:J:A1A3W:103:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7HH9",
      "ccd_url": "https://www.rcsb.org/ligand/A1A3W",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9I7H:LIG:D:MPD:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
      "chemical_id": "INCHIKEY:SVTBMSDMJJWYQN-YFKPBYRVSA-N",
      "compound_id": "INCHIKEY:SVTBMSDMJJWYQN-YFKPBYRVSA-N",
      "pdb_id": "9I7H",
      "ligand_instance_id": "PDB:9I7H:LIG:D:MPD:101:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "crystallization additive",
      "role_code": "crystallization_additive",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/9I7H",
      "ccd_url": "https://www.rcsb.org/ligand/MPD",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HG0:LIG:J:A1A3P:103:.:SITE:UP:Q7Z4V5:PWWP1:B",
      "chemical_id": "INCHIKEY:BTFSIMIIDGGVRU-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:BTFSIMIIDGGVRU-UHFFFAOYSA-N",
      "pdb_id": "7HG0",
      "ligand_instance_id": "PDB:7HG0:LIG:J:A1A3P:103:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7HG0",
      "ccd_url": "https://www.rcsb.org/ligand/A1A3P",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HHR:LIG:J:YEB:103:.:SITE:UP:Q7Z4V5:PWWP1:B",
      "chemical_id": "INCHIKEY:OPFOHHASSCNHHQ-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:OPFOHHASSCNHHQ-UHFFFAOYSA-N",
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      "ligand_instance_id": "PDB:7HHR:LIG:J:YEB:103:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7HHR",
      "ccd_url": "https://www.rcsb.org/ligand/YEB",
      "coordinate_sha256": "7fef6ac7429ee7acbeaec8c3cfa8ad9f497bfd952d20c252fa4eef458ca62aac",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HHP:LIG:J:A1A3Z:103:.:SITE:UP:Q7Z4V5:PWWP1:B",
      "chemical_id": "INCHIKEY:KUYQDJOFVBGZID-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:KUYQDJOFVBGZID-UHFFFAOYSA-N",
      "pdb_id": "7HHP",
      "ligand_instance_id": "PDB:7HHP:LIG:J:A1A3Z:103:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7HHP",
      "ccd_url": "https://www.rcsb.org/ligand/A1A3Z",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HHA:LIG:K:TE0:103:.:SITE:UP:Q7Z4V5:PWWP1:B",
      "chemical_id": "INCHIKEY:FXILSJTWIHHRJV-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:FXILSJTWIHHRJV-UHFFFAOYSA-N",
      "pdb_id": "7HHA",
      "ligand_instance_id": "PDB:7HHA:LIG:K:TE0:103:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
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      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
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      "ccd_url": "https://www.rcsb.org/ligand/TE0",
      "coordinate_sha256": "0977174f22f089865e89947b3557802914442bbb498a59ad346634e1bd059dc4",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HG6:LIG:J:2NU:103:.:SITE:UP:Q7Z4V5:PWWP1:B",
      "chemical_id": "INCHIKEY:WFHPYRQFVJBTSS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:WFHPYRQFVJBTSS-UHFFFAOYSA-N",
      "pdb_id": "7HG6",
      "ligand_instance_id": "PDB:7HG6:LIG:J:2NU:103:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7HG6",
      "ccd_url": "https://www.rcsb.org/ligand/2NU",
      "coordinate_sha256": "44a14091c19c0de2c120805d1a9782bcc5e2db1c0fedf669de107021cae2cfff",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGK:LIG:J:NW4:103:.:SITE:UP:Q7Z4V5:PWWP1:B",
      "chemical_id": "INCHIKEY:KUIOCGNNDZSGKS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:KUIOCGNNDZSGKS-UHFFFAOYSA-N",
      "pdb_id": "7HGK",
      "ligand_instance_id": "PDB:7HGK:LIG:J:NW4:103:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7HGK",
      "ccd_url": "https://www.rcsb.org/ligand/NW4",
      "coordinate_sha256": "74695119c47105bdac9c76599b7153cce941cd0578c62ce2d96ae448598f5508",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HHH:LIG:J:A1A3T:103:.:SITE:UP:Q7Z4V5:PWWP1:B",
      "chemical_id": "INCHIKEY:QQINQSPEYDVMCD-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:QQINQSPEYDVMCD-UHFFFAOYSA-N",
      "pdb_id": "7HHH",
      "ligand_instance_id": "PDB:7HHH:LIG:J:A1A3T:103:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7HHH",
      "ccd_url": "https://www.rcsb.org/ligand/A1A3T",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:3QBY:LIG:D:M3L:20:6:SITE:UP:Q7Z4V5:PWWP1:B",
      "chemical_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O",
      "compound_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O",
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      "ligand_instance_id": "PDB:3QBY:LIG:D:M3L:20:6",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": null,
      "role_code": "unclassified_biological_component",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/3QBY",
      "ccd_url": "https://www.rcsb.org/ligand/M3L",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9GRT:LIG:J:DMS:103:.:SITE:UP:Q7Z4V5:PWWP1:B",
      "chemical_id": "INCHIKEY:IAZDPXIOMUYVGZ-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:IAZDPXIOMUYVGZ-UHFFFAOYSA-N",
      "pdb_id": "9GRT",
      "ligand_instance_id": "PDB:9GRT:LIG:J:DMS:103:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "solvent",
      "role_code": "solvent",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/9GRT",
      "ccd_url": "https://www.rcsb.org/ligand/DMS",
      "coordinate_sha256": "624187a831cadcf3788247606ed693e3003cfdb7dfd1ac42a6d3fe8df7279158",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGL:LIG:J:WJ4:103:.:SITE:UP:Q7Z4V5:PWWP1:B",
      "chemical_id": "INCHIKEY:PTFMLOCDFPJQDW-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFMLOCDFPJQDW-UHFFFAOYSA-N",
      "pdb_id": "7HGL",
      "ligand_instance_id": "PDB:7HGL:LIG:J:WJ4:103:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7HGL",
      "ccd_url": "https://www.rcsb.org/ligand/WJ4",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HH0:LIG:J:RYP:103:.:SITE:UP:Q7Z4V5:PWWP1:B",
      "chemical_id": "INCHIKEY:DNBWGFKLIBQQSL-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:DNBWGFKLIBQQSL-UHFFFAOYSA-N",
      "pdb_id": "7HH0",
      "ligand_instance_id": "PDB:7HH0:LIG:J:RYP:103:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7HH0",
      "ccd_url": "https://www.rcsb.org/ligand/RYP",
      "coordinate_sha256": "0c18dba4b9a8f66eff6ddcb52e8b131a65291eb9b3438c1530299b3d273ee994",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HHO:LIG:J:A1H9U:103:.:SITE:UP:Q7Z4V5:PWWP1:B",
      "chemical_id": "INCHIKEY:XFEFCFAFNZDPDF-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:XFEFCFAFNZDPDF-UHFFFAOYSA-N",
      "pdb_id": "7HHO",
      "ligand_instance_id": "PDB:7HHO:LIG:J:A1H9U:103:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7HHO",
      "ccd_url": "https://www.rcsb.org/ligand/A1H9U",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HG4:LIG:J:UXG:103:.:SITE:UP:Q7Z4V5:PWWP1:B",
      "chemical_id": "INCHIKEY:MMAJXKGUZYDTHV-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:MMAJXKGUZYDTHV-UHFFFAOYSA-N",
      "pdb_id": "7HG4",
      "ligand_instance_id": "PDB:7HG4:LIG:J:UXG:103:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7HG4",
      "ccd_url": "https://www.rcsb.org/ligand/UXG",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HHB:LIG:J:A1A3U:103:.:SITE:UP:Q7Z4V5:PWWP1:B",
      "chemical_id": "INCHIKEY:XJCXOPUZWYXCES-QMMMGPOBSA-N",
      "compound_id": "INCHIKEY:XJCXOPUZWYXCES-QMMMGPOBSA-N",
      "pdb_id": "7HHB",
      "ligand_instance_id": "PDB:7HHB:LIG:J:A1A3U:103:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7HHB",
      "ccd_url": "https://www.rcsb.org/ligand/A1A3U",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9I7G:LIG:G:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "9I7G",
      "ligand_instance_id": "PDB:9I7G:LIG:G:SO4:101:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGU:LIG:J:VVJ:103:.:SITE:UP:Q7Z4V5:PWWP1:B",
      "chemical_id": "INCHIKEY:UXPPTRFZLSZETL-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:UXPPTRFZLSZETL-UHFFFAOYSA-N",
      "pdb_id": "7HGU",
      "ligand_instance_id": "PDB:7HGU:LIG:J:VVJ:103:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HH2:LIG:H:EDO:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
      "chemical_id": "INCHIKEY:LYCAIKOWRPUZTN-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:LYCAIKOWRPUZTN-UHFFFAOYSA-N",
      "pdb_id": "7HH2",
      "ligand_instance_id": "PDB:7HH2:LIG:H:EDO:101:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "cryoprotectant/additive",
      "role_code": "cryoprotectant",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
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      "ccd_url": "https://www.rcsb.org/ligand/EDO",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGD:LIG:K:A1A3S:103:.:SITE:UP:Q7Z4V5:PWWP1:B",
      "chemical_id": "INCHIKEY:CPSZUJVUZDHXHY-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:CPSZUJVUZDHXHY-UHFFFAOYSA-N",
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      "ligand_instance_id": "PDB:7HGD:LIG:K:A1A3S:103:.",
      "protein_id": "UP:Q7Z4V5",
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      "source_role": "experimentally deposited fragment",
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      "exact_pwwp_contact": true,
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      "structural_research_ligand": true,
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGQ:LIG:J:K2S:103:.:SITE:UP:Q7Z4V5:PWWP1:B",
      "chemical_id": "INCHIKEY:YJCZGTAEFYFJRJ-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:YJCZGTAEFYFJRJ-UHFFFAOYSA-N",
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      "ligand_instance_id": "PDB:7HGQ:LIG:J:K2S:103:.",
      "protein_id": "UP:Q7Z4V5",
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      "source_role": "experimentally deposited fragment",
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      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "chemical_id": "INCHIKEY:YWRNHBFWWBSTNH-QMMMGPOBSA-N",
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      "protein_id": "UP:Q7Z4V5",
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      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
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      "exact_pwwp_contact": true,
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      "structural_research_ligand": true,
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HH7:LIG:J:LJR:103:.:SITE:UP:Q7Z4V5:PWWP1:B",
      "chemical_id": "INCHIKEY:PFWYRMPHHJKJBB-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PFWYRMPHHJKJBB-UHFFFAOYSA-N",
      "pdb_id": "7HH7",
      "ligand_instance_id": "PDB:7HH7:LIG:J:LJR:103:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
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      "exact_pwwp_contact": true,
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      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7HH7",
      "ccd_url": "https://www.rcsb.org/ligand/LJR",
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      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HG8:LIG:J:VZP:103:.:SITE:UP:Q7Z4V5:PWWP1:B",
      "chemical_id": "INCHIKEY:RMWFRPZNASSVCZ-MRVPVSSYSA-N",
      "compound_id": "INCHIKEY:RMWFRPZNASSVCZ-MRVPVSSYSA-N",
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      "ligand_instance_id": "PDB:7HG8:LIG:J:VZP:103:.",
      "protein_id": "UP:Q7Z4V5",
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      "source_role": "experimentally deposited fragment",
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      "structural_research_ligand": true,
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      "source_url": "https://www.rcsb.org/structure/7HG8",
      "ccd_url": "https://www.rcsb.org/ligand/VZP",
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      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HHM:LIG:J:UWD:103:.:SITE:UP:Q7Z4V5:PWWP1:B",
      "chemical_id": "INCHIKEY:UQXCTICEXNDHAR-UHFFFAOYSA-N",
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      "pdb_id": "7HHM",
      "ligand_instance_id": "PDB:7HHM:LIG:J:UWD:103:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
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      "source_url": "https://www.rcsb.org/structure/7HHM",
      "ccd_url": "https://www.rcsb.org/ligand/UWD",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGS:LIG:J:A1AMX:103:.:SITE:UP:Q7Z4V5:PWWP1:B",
      "chemical_id": "INCHIKEY:YVFXOSQSQHCMKO-MRVPVSSYSA-N",
      "compound_id": "INCHIKEY:YVFXOSQSQHCMKO-MRVPVSSYSA-N",
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      "ligand_instance_id": "PDB:7HGS:LIG:J:A1AMX:103:.",
      "protein_id": "UP:Q7Z4V5",
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      "source_role": "experimentally deposited fragment",
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      "exact_pwwp_contact": true,
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      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7HGS",
      "ccd_url": "https://www.rcsb.org/ligand/A1AMX",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HHE:LIG:K:A1A38:103:.:SITE:UP:Q7Z4V5:PWWP1:B",
      "chemical_id": "INCHIKEY:DIBVGDONZMMHTK-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:DIBVGDONZMMHTK-UHFFFAOYSA-N",
      "pdb_id": "7HHE",
      "ligand_instance_id": "PDB:7HHE:LIG:K:A1A38:103:.",
      "protein_id": "UP:Q7Z4V5",
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      "source_role": "experimentally deposited fragment",
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      "exact_pwwp_contact": true,
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      "source_url": "https://www.rcsb.org/structure/7HHE",
      "ccd_url": "https://www.rcsb.org/ligand/A1A38",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HHK:LIG:K:LPU:103:.:SITE:UP:Q7Z4V5:PWWP1:B",
      "chemical_id": "INCHIKEY:UPEFDWJLNXWMOW-UHFFFAOYSA-N",
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      "pdb_id": "7HHK",
      "ligand_instance_id": "PDB:7HHK:LIG:K:LPU:103:.",
      "protein_id": "UP:Q7Z4V5",
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      "source_role": "experimentally deposited fragment",
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      "exact_pwwp_contact": true,
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      "source_url": "https://www.rcsb.org/structure/7HHK",
      "ccd_url": "https://www.rcsb.org/ligand/LPU",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HG7:LIG:J:EJQ:103:.:SITE:UP:Q7Z4V5:PWWP1:B",
      "chemical_id": "INCHIKEY:XUHKVJOCQINJLO-UHFFFAOYSA-N",
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      "ligand_instance_id": "PDB:7HG7:LIG:J:EJQ:103:.",
      "protein_id": "UP:Q7Z4V5",
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      "source_role": "experimentally deposited fragment",
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      "exact_pwwp_contact": true,
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      "source_url": "https://www.rcsb.org/structure/7HG7",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGR:LIG:J:A1AM6:103:.:SITE:UP:Q7Z4V5:PWWP1:B",
      "chemical_id": "INCHIKEY:JMSBGUKOMZSBMF-UHFFFAOYSA-N",
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      "ligand_instance_id": "PDB:7HGR:LIG:J:A1AM6:103:.",
      "protein_id": "UP:Q7Z4V5",
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      "source_role": "experimentally deposited fragment",
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      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGJ:LIG:J:ZUG:103:.:SITE:UP:Q7Z4V5:PWWP1:B",
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      "ligand_instance_id": "PDB:7HGJ:LIG:J:ZUG:103:.",
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      "source_role": "experimentally deposited fragment",
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      "exact_pwwp_contact": true,
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      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGN:LIG:J:NX7:103:.:SITE:UP:Q7Z4V5:PWWP1:B",
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      "ligand_instance_id": "PDB:7HGN:LIG:J:NX7:103:.",
      "protein_id": "UP:Q7Z4V5",
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      "source_role": "experimentally deposited fragment",
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      "exact_pwwp_contact": true,
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      "structural_research_ligand": true,
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      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HG5:LIG:J:WV4:103:.:SITE:UP:Q7Z4V5:PWWP1:B",
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      "compound_id": "INCHIKEY:UTXGKZQFKXUXRX-UHFFFAOYSA-N",
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      "ligand_instance_id": "PDB:7HG5:LIG:J:WV4:103:.",
      "protein_id": "UP:Q7Z4V5",
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      "source_role": "experimentally deposited fragment",
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "source_role": "experimentally deposited fragment",
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "source_role": "experimentally deposited fragment",
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      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HHC:LIG:J:SYX:103:.:SITE:UP:Q7Z4V5:PWWP1:B",
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      "ligand_instance_id": "PDB:7HHC:LIG:J:SYX:103:.",
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      "source_role": "experimentally deposited fragment",
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      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGB:LIG:J:A1A34:103:.:SITE:UP:Q7Z4V5:PWWP1:B",
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      "source_role": "experimentally deposited fragment",
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      "exact_pwwp_contact": true,
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "ligand_instance_id": "PDB:7HGE:LIG:J:X0S:103:.",
      "protein_id": "UP:Q7Z4V5",
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      "source_role": "experimentally deposited fragment",
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      "structural_research_ligand": true,
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      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "ligand_instance_id": "PDB:7HGA:LIG:J:TU6:103:.",
      "protein_id": "UP:Q7Z4V5",
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      "source_role": "experimentally deposited fragment",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HG2:LIG:K:U0S:103:.:SITE:UP:Q7Z4V5:PWWP1:B",
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      "ligand_instance_id": "PDB:7HG2:LIG:K:U0S:103:.",
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      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7HG2",
      "ccd_url": "https://www.rcsb.org/ligand/U0S",
      "coordinate_sha256": "e97ff28ea286827500e032d266eb70f9db7e1cf1610f12236e8936d6799c293d",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGF:LIG:J:T0Y:103:.:SITE:UP:Q7Z4V5:PWWP1:B",
      "chemical_id": "INCHIKEY:JQJVNJKLFUBEBG-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:JQJVNJKLFUBEBG-UHFFFAOYSA-N",
      "pdb_id": "7HGF",
      "ligand_instance_id": "PDB:7HGF:LIG:J:T0Y:103:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7HGF",
      "ccd_url": "https://www.rcsb.org/ligand/T0Y",
      "coordinate_sha256": "c92bb07f522474a41152e29a7aa02fe7dc12373ecb91f8ff02534aa4965e6d2b",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9GRS:LIG:G:A1H6Y:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
      "chemical_id": "INCHIKEY:FJLFSYRGFJDJMQ-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:FJLFSYRGFJDJMQ-UHFFFAOYSA-N",
      "pdb_id": "9GRS",
      "ligand_instance_id": "PDB:9GRS:LIG:G:A1H6Y:101:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally studied ligand",
      "role_code": "reported_studied_structural_ligand",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/9GRS",
      "ccd_url": "https://www.rcsb.org/ligand/A1H6Y",
      "coordinate_sha256": "ea6962be06f3f0d1f1eafd6f9dc63f52f2ac283158251f34bbd80282a812975c",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HG3:LIG:H:ZQD:105:.:SITE:UP:Q7Z4V5:PWWP1:B",
      "chemical_id": "INCHIKEY:IUKADXXFBFQTOO-VIFPVBQESA-N",
      "compound_id": "INCHIKEY:IUKADXXFBFQTOO-VIFPVBQESA-N",
      "pdb_id": "7HG3",
      "ligand_instance_id": "PDB:7HG3:LIG:H:ZQD:105:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7HG3",
      "ccd_url": "https://www.rcsb.org/ligand/ZQD",
      "coordinate_sha256": "6fb01f1cd1cc044a843d5160722d99170c3564d03ed377b699c0fd96a9562ed2",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGX:LIG:J:A1A31:103:.:SITE:UP:Q7Z4V5:PWWP1:B",
      "chemical_id": "INCHIKEY:VUFBCWUJICCKDU-ZCFIWIBFSA-N",
      "compound_id": "INCHIKEY:VUFBCWUJICCKDU-ZCFIWIBFSA-N",
      "pdb_id": "7HGX",
      "ligand_instance_id": "PDB:7HGX:LIG:J:A1A31:103:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7HGX",
      "ccd_url": "https://www.rcsb.org/ligand/A1A31",
      "coordinate_sha256": "923b2cd504615210e771551558b2aa0691c239e2fddc6ec35b1591291913f3a5",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9I7E:LIG:D:EDO:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
      "chemical_id": "INCHIKEY:LYCAIKOWRPUZTN-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:LYCAIKOWRPUZTN-UHFFFAOYSA-N",
      "pdb_id": "9I7E",
      "ligand_instance_id": "PDB:9I7E:LIG:D:EDO:101:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "cryoprotectant/additive",
      "role_code": "cryoprotectant",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/9I7E",
      "ccd_url": "https://www.rcsb.org/ligand/EDO",
      "coordinate_sha256": "2d9155c00715884e1a7a34990650be2b2495aab29233acf09c7eef87804ff681",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGH:LIG:J:A1A4A:103:.:SITE:UP:Q7Z4V5:PWWP1:B",
      "chemical_id": "INCHIKEY:KKBVPDRSYCAPEU-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:KKBVPDRSYCAPEU-UHFFFAOYSA-N",
      "pdb_id": "7HGH",
      "ligand_instance_id": "PDB:7HGH:LIG:J:A1A4A:103:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7HGH",
      "ccd_url": "https://www.rcsb.org/ligand/A1A4A",
      "coordinate_sha256": "e8175d471c5215a7106b7213ee03086e157c659d0f8c163ee2397889e9ffb071",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HH1:LIG:J:VVG:103:.:SITE:UP:Q7Z4V5:PWWP1:B",
      "chemical_id": "INCHIKEY:MRTGYFRQZQCITC-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:MRTGYFRQZQCITC-UHFFFAOYSA-N",
      "pdb_id": "7HH1",
      "ligand_instance_id": "PDB:7HH1:LIG:J:VVG:103:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7HH1",
      "ccd_url": "https://www.rcsb.org/ligand/VVG",
      "coordinate_sha256": "3fb02346474120f1d595038a69ed75bd45d229e50a3b56a6bce2755faf1a5c6b",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HHD:LIG:J:A1A3V:103:.:SITE:UP:Q7Z4V5:PWWP1:B",
      "chemical_id": "INCHIKEY:HFHPBMVMXFZJNO-MRVPVSSYSA-N",
      "compound_id": "INCHIKEY:HFHPBMVMXFZJNO-MRVPVSSYSA-N",
      "pdb_id": "7HHD",
      "ligand_instance_id": "PDB:7HHD:LIG:J:A1A3V:103:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7HHD",
      "ccd_url": "https://www.rcsb.org/ligand/A1A3V",
      "coordinate_sha256": "96a76c3d4db63c21ddd5c258bbb56fa9b78d8b1461055348ae449330c5ab0453",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGC:LIG:J:A1AJ5:103:.:SITE:UP:Q7Z4V5:PWWP1:B",
      "chemical_id": "INCHIKEY:WHLMWNCAOOBOTJ-QMMMGPOBSA-N",
      "compound_id": "INCHIKEY:WHLMWNCAOOBOTJ-QMMMGPOBSA-N",
      "pdb_id": "7HGC",
      "ligand_instance_id": "PDB:7HGC:LIG:J:A1AJ5:103:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7HGC",
      "ccd_url": "https://www.rcsb.org/ligand/A1AJ5",
      "coordinate_sha256": "d295d0309983c483404738beba9143d7bce0e6b09d455cc232d6e12e62750f10",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9I7C:LIG:G:DMS:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
      "chemical_id": "INCHIKEY:IAZDPXIOMUYVGZ-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:IAZDPXIOMUYVGZ-UHFFFAOYSA-N",
      "pdb_id": "9I7C",
      "ligand_instance_id": "PDB:9I7C:LIG:G:DMS:101:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "solvent",
      "role_code": "solvent",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/9I7C",
      "ccd_url": "https://www.rcsb.org/ligand/DMS",
      "coordinate_sha256": "babfb2ebe98bc9ec324f6855694a3dcead238b2e3a72cfbda5b8d0506014bd1f",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HHL:LIG:J:A1A37:103:.:SITE:UP:Q7Z4V5:PWWP1:B",
      "chemical_id": "INCHIKEY:GOGVDMSQODUATE-JTQLQIEISA-N",
      "compound_id": "INCHIKEY:GOGVDMSQODUATE-JTQLQIEISA-N",
      "pdb_id": "7HHL",
      "ligand_instance_id": "PDB:7HHL:LIG:J:A1A37:103:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7HHL",
      "ccd_url": "https://www.rcsb.org/ligand/A1A37",
      "coordinate_sha256": "5c3ff9208e10407175821d9f94af972279196b43acbb0ca8dc11a8428973b8af",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGO:LIG:J:8DH:103:.:SITE:UP:Q7Z4V5:PWWP1:B",
      "chemical_id": "INCHIKEY:VTMVBMKVPGBHRQ-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:VTMVBMKVPGBHRQ-UHFFFAOYSA-N",
      "pdb_id": "7HGO",
      "ligand_instance_id": "PDB:7HGO:LIG:J:8DH:103:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7HGO",
      "ccd_url": "https://www.rcsb.org/ligand/8DH",
      "coordinate_sha256": "59502200c946ad49417ae7474a0e2d74d11e2d7b2579181e1e871b1a6d1bb0a6",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGV:LIG:K:A1A33:103:.:SITE:UP:Q7Z4V5:PWWP1:B",
      "chemical_id": "INCHIKEY:LZXLHLSTUPFULX-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:LZXLHLSTUPFULX-UHFFFAOYSA-N",
      "pdb_id": "7HGV",
      "ligand_instance_id": "PDB:7HGV:LIG:K:A1A33:103:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7HGV",
      "ccd_url": "https://www.rcsb.org/ligand/A1A33",
      "coordinate_sha256": "fe1cd4a27d551a8b13bcaa79554d9465554b4cef3df247fcbe05f1598bea4c6f",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HH3:LIG:J:A1A3X:103:.:SITE:UP:Q7Z4V5:PWWP1:B",
      "chemical_id": "INCHIKEY:DBSDZVMWEMKFCH-QMMMGPOBSA-N",
      "compound_id": "INCHIKEY:DBSDZVMWEMKFCH-QMMMGPOBSA-N",
      "pdb_id": "7HH3",
      "ligand_instance_id": "PDB:7HH3:LIG:J:A1A3X:103:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7HH3",
      "ccd_url": "https://www.rcsb.org/ligand/A1A3X",
      "coordinate_sha256": "7ffb4732b6b4b645ba00c198aab7bdaf9256298ac5cff11dde038751a0fd091e",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HHJ:LIG:J:WJ7:103:.:SITE:UP:Q7Z4V5:PWWP1:B",
      "chemical_id": "INCHIKEY:CGUIJOTZYHWBSQ-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:CGUIJOTZYHWBSQ-UHFFFAOYSA-N",
      "pdb_id": "7HHJ",
      "ligand_instance_id": "PDB:7HHJ:LIG:J:WJ7:103:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7HHJ",
      "ccd_url": "https://www.rcsb.org/ligand/WJ7",
      "coordinate_sha256": "248807e0ee92c902d2ff7502b127a5b5cbe2085a571c217ba793f5c1e0304c98",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGI:LIG:J:A1A35:103:.:SITE:UP:Q7Z4V5:PWWP1:B",
      "chemical_id": "INCHIKEY:IQHALCWAYMQEQI-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:IQHALCWAYMQEQI-UHFFFAOYSA-N",
      "pdb_id": "7HGI",
      "ligand_instance_id": "PDB:7HGI:LIG:J:A1A35:103:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7HGI",
      "ccd_url": "https://www.rcsb.org/ligand/A1A35",
      "coordinate_sha256": "7e52897533282687923736f02ecbe64639143ec45a0e3744de05bafaca745edf",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HHN:LIG:J:A1A30:103:.:SITE:UP:Q7Z4V5:PWWP1:B",
      "chemical_id": "INCHIKEY:JYNPFTCJJVIWTD-LURJTMIESA-N",
      "compound_id": "INCHIKEY:JYNPFTCJJVIWTD-LURJTMIESA-N",
      "pdb_id": "7HHN",
      "ligand_instance_id": "PDB:7HHN:LIG:J:A1A30:103:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7HHN",
      "ccd_url": "https://www.rcsb.org/ligand/A1A30",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGY:LIG:H:UVA:105:.:SITE:UP:Q7Z4V5:PWWP1:B",
      "chemical_id": "INCHIKEY:YLDKGNWSSXYUAH-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:YLDKGNWSSXYUAH-UHFFFAOYSA-N",
      "pdb_id": "7HGY",
      "ligand_instance_id": "PDB:7HGY:LIG:H:UVA:105:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7HGY",
      "ccd_url": "https://www.rcsb.org/ligand/UVA",
      "coordinate_sha256": "4f22c6399b6aef7275aadbd7ee34711a4b5f37e5385d18ace1a3bff390a1b6cc",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9I7A:LIG:C:EDO:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
      "chemical_id": "INCHIKEY:LYCAIKOWRPUZTN-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:LYCAIKOWRPUZTN-UHFFFAOYSA-N",
      "pdb_id": "9I7A",
      "ligand_instance_id": "PDB:9I7A:LIG:C:EDO:101:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "cryoprotectant/additive",
      "role_code": "cryoprotectant",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/9I7A",
      "ccd_url": "https://www.rcsb.org/ligand/EDO",
      "coordinate_sha256": "857793d747236e582de4077a0e81844a78959029ddad4ee092a2c22ac17615d3",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HHQ:LIG:K:A1A3Y:103:.:SITE:UP:Q7Z4V5:PWWP1:B",
      "chemical_id": "INCHIKEY:ZSHAGSDVWLLMSY-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:ZSHAGSDVWLLMSY-UHFFFAOYSA-N",
      "pdb_id": "7HHQ",
      "ligand_instance_id": "PDB:7HHQ:LIG:K:A1A3Y:103:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7HHQ",
      "ccd_url": "https://www.rcsb.org/ligand/A1A3Y",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HHF:LIG:J:A1A36:103:.:SITE:UP:Q7Z4V5:PWWP1:B",
      "chemical_id": "INCHIKEY:CSZFIJNBBMUGDN-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:CSZFIJNBBMUGDN-UHFFFAOYSA-N",
      "pdb_id": "7HHF",
      "ligand_instance_id": "PDB:7HHF:LIG:J:A1A36:103:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7HHF",
      "ccd_url": "https://www.rcsb.org/ligand/A1A36",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HH5:LIG:I:EDO:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
      "chemical_id": "INCHIKEY:LYCAIKOWRPUZTN-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:LYCAIKOWRPUZTN-UHFFFAOYSA-N",
      "pdb_id": "7HH5",
      "ligand_instance_id": "PDB:7HH5:LIG:I:EDO:101:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "cryoprotectant/additive",
      "role_code": "cryoprotectant",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/7HH5",
      "ccd_url": "https://www.rcsb.org/ligand/EDO",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGM:LIG:K:A1AM1:103:.:SITE:UP:Q7Z4V5:PWWP1:B",
      "chemical_id": "INCHIKEY:IOOTXFHTMOUUHM-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:IOOTXFHTMOUUHM-UHFFFAOYSA-N",
      "pdb_id": "7HGM",
      "ligand_instance_id": "PDB:7HGM:LIG:K:A1AM1:103:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7HGM",
      "ccd_url": "https://www.rcsb.org/ligand/A1AM1",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HH6:LIG:J:UUY:103:.:SITE:UP:Q7Z4V5:PWWP1:B",
      "chemical_id": "INCHIKEY:MWGKOPUDDQZERY-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:MWGKOPUDDQZERY-UHFFFAOYSA-N",
      "pdb_id": "7HH6",
      "ligand_instance_id": "PDB:7HH6:LIG:J:UUY:103:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7HH6",
      "ccd_url": "https://www.rcsb.org/ligand/UUY",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HG9:LIG:J:A1A3Q:103:.:SITE:UP:Q7Z4V5:PWWP1:B",
      "chemical_id": "INCHIKEY:VMFJFKMORNSDKQ-ZETCQYMHSA-N",
      "compound_id": "INCHIKEY:VMFJFKMORNSDKQ-ZETCQYMHSA-N",
      "pdb_id": "7HG9",
      "ligand_instance_id": "PDB:7HG9:LIG:J:A1A3Q:103:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7HG9",
      "ccd_url": "https://www.rcsb.org/ligand/A1A3Q",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGZ:LIG:I:EDO:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
      "chemical_id": "INCHIKEY:LYCAIKOWRPUZTN-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:LYCAIKOWRPUZTN-UHFFFAOYSA-N",
      "pdb_id": "7HGZ",
      "ligand_instance_id": "PDB:7HGZ:LIG:I:EDO:101:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "cryoprotectant/additive",
      "role_code": "cryoprotectant",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
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      "ccd_url": "https://www.rcsb.org/ligand/EDO",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HH8:LIG:I:EDO:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
      "chemical_id": "INCHIKEY:LYCAIKOWRPUZTN-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:LYCAIKOWRPUZTN-UHFFFAOYSA-N",
      "pdb_id": "7HH8",
      "ligand_instance_id": "PDB:7HH8:LIG:I:EDO:101:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "cryoprotectant/additive",
      "role_code": "cryoprotectant",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
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      "observed_other_component": true,
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGP:LIG:I:EDO:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
      "chemical_id": "INCHIKEY:LYCAIKOWRPUZTN-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:LYCAIKOWRPUZTN-UHFFFAOYSA-N",
      "pdb_id": "7HGP",
      "ligand_instance_id": "PDB:7HGP:LIG:I:EDO:101:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "cryoprotectant/additive",
      "role_code": "cryoprotectant",
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      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
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      "observed_other_component": true,
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9GRV:LIG:H:DMS:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
      "chemical_id": "INCHIKEY:IAZDPXIOMUYVGZ-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:IAZDPXIOMUYVGZ-UHFFFAOYSA-N",
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      "ligand_instance_id": "PDB:9GRV:LIG:H:DMS:101:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "solvent",
      "role_code": "solvent",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9I7B:LIG:F:DMS:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
      "chemical_id": "INCHIKEY:IAZDPXIOMUYVGZ-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:IAZDPXIOMUYVGZ-UHFFFAOYSA-N",
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      "ligand_instance_id": "PDB:9I7B:LIG:F:DMS:101:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "solvent",
      "role_code": "solvent",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9I7I:LIG:F:EDO:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
      "chemical_id": "INCHIKEY:LYCAIKOWRPUZTN-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:LYCAIKOWRPUZTN-UHFFFAOYSA-N",
      "pdb_id": "9I7I",
      "ligand_instance_id": "PDB:9I7I:LIG:F:EDO:101:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "cryoprotectant/additive",
      "role_code": "cryoprotectant",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HHG:LIG:J:W1A:103:.:SITE:UP:Q7Z4V5:PWWP1:B",
      "chemical_id": "INCHIKEY:LULUGSQUPICPQM-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:LULUGSQUPICPQM-UHFFFAOYSA-N",
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      "ligand_instance_id": "PDB:7HHG:LIG:J:W1A:103:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7HHG",
      "ccd_url": "https://www.rcsb.org/ligand/W1A",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9S83:LIG:C:EDO:101:.:SITE:UP:O75475:PWWP1:B",
      "chemical_id": "INCHIKEY:LYCAIKOWRPUZTN-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:LYCAIKOWRPUZTN-UHFFFAOYSA-N",
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      "ligand_instance_id": "PDB:9S83:LIG:C:EDO:101:.",
      "protein_id": "UP:O75475",
      "domain_id": "UP:O75475:PWWP1",
      "source_role": "cryoprotectant/additive",
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      "exact_pwwp_contact": true,
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      "ccd_url": "https://www.rcsb.org/ligand/EDO",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:6IIQ:LIG:J:MLA:101:.:SITE:UP:Q9Y3E1:PWWP1:B",
      "chemical_id": "INCHIKEY:OFOBLEOULBTSOW-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:OFOBLEOULBTSOW-UHFFFAOYSA-N",
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      "ligand_instance_id": "PDB:6IIQ:LIG:J:MLA:101:.",
      "protein_id": "UP:Q9Y3E1",
      "domain_id": "UP:Q9Y3E1:PWWP1",
      "source_role": "buffer/additive",
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      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/6IIQ",
      "ccd_url": "https://www.rcsb.org/ligand/MLA",
      "coordinate_sha256": "eb0a6ebdd81c2989484b2307da3a4577e656a20edfafcc60f681a5ac34684b29",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:6IIP:LIG:I:SO4:103:.:SITE:UP:Q9Y3E1:PWWP1:B",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "6IIP",
      "ligand_instance_id": "PDB:6IIP:LIG:I:SO4:103:.",
      "protein_id": "UP:Q9Y3E1",
      "domain_id": "UP:Q9Y3E1:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
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      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/6IIP",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "de760b33d8b4538fb9105f359a96f18ad195db1a5a0c3ba4b4b42502e72333c2",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9I7G:LIG:H:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:B",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "9I7G",
      "ligand_instance_id": "PDB:9I7G:LIG:H:SO4:102:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
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      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/9I7G",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "daa4104a7c361507f3684c1ac0076be6f34440b751220496d023c1239f9f1030",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9I7B:LIG:G:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:B",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "9I7B",
      "ligand_instance_id": "PDB:9I7B:LIG:G:SO4:102:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
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      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/9I7B",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "40ad919ea3f91a24d33eddd4ed2d09ff4c74e265808ecf8ece4eb3f925089f58",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:6IIP:LIG:G:MES:101:.:SITE:UP:Q9Y3E1:PWWP1:B",
      "chemical_id": "INCHIKEY:SXGZJKUKBWWHRA-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:SXGZJKUKBWWHRA-UHFFFAOYSA-N",
      "pdb_id": "6IIP",
      "ligand_instance_id": "PDB:6IIP:LIG:G:MES:101:.",
      "protein_id": "UP:Q9Y3E1",
      "domain_id": "UP:Q9Y3E1:PWWP1",
      "source_role": "buffer/additive",
      "role_code": "buffer_component",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/6IIP",
      "ccd_url": "https://www.rcsb.org/ligand/MES",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:6IIP:LIG:C:MES:101:.:SITE:UP:Q9Y3E1:PWWP1:B",
      "chemical_id": "INCHIKEY:SXGZJKUKBWWHRA-UHFFFAOYSA-N",
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      "ligand_instance_id": "PDB:6IIP:LIG:C:MES:101:.",
      "protein_id": "UP:Q9Y3E1",
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      "source_role": "buffer/additive",
      "role_code": "buffer_component",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/6IIP",
      "ccd_url": "https://www.rcsb.org/ligand/MES",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:6IIS:LIG:F:M3L:36:4:SITE:UP:Q9Y3E1:PWWP1:B",
      "chemical_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O",
      "compound_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O",
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      "ligand_instance_id": "PDB:6IIS:LIG:F:M3L:36:4",
      "protein_id": "UP:Q9Y3E1",
      "domain_id": "UP:Q9Y3E1:PWWP1",
      "source_role": null,
      "role_code": "unclassified_biological_component",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": false,
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5XSK:LIG:E:MPD:201:.:SITE:UP:Q8VHK7:PWWP1:D",
      "chemical_id": "INCHIKEY:SVTBMSDMJJWYQN-YFKPBYRVSA-N",
      "compound_id": "INCHIKEY:SVTBMSDMJJWYQN-YFKPBYRVSA-N",
      "pdb_id": "5XSK",
      "ligand_instance_id": "PDB:5XSK:LIG:E:MPD:201:.",
      "protein_id": "UP:Q8VHK7",
      "domain_id": "UP:Q8VHK7:PWWP1",
      "source_role": "crystallization additive",
      "role_code": "crystallization_additive",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/5XSK",
      "ccd_url": "https://www.rcsb.org/ligand/MPD",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "pdb_id": "6IIP",
      "ligand_instance_id": "PDB:6IIP:LIG:E:SO4:103:.",
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      "domain_id": "UP:Q9Y3E1:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/6IIP",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "compound_id": "CCD_UNRESOLVED:UNX",
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      "ligand_instance_id": "PDB:6UE6:LIG:W:UNX:2005:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/6UE6",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9EXX:LIG:J:EOH:405:.:SITE:UP:O96028:PWWP1:B",
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      "ligand_instance_id": "PDB:9EXX:LIG:J:EOH:405:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "solvent",
      "role_code": "solvent",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/9EXX",
      "ccd_url": "https://www.rcsb.org/ligand/EOH",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "ligand_instance_id": "PDB:6UE6:LIG:DA:UNX:2012:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
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      "exact_pwwp_contact": false,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9KN9:LIG:E:EPE:403:.:SITE:UP:O96028:PWWP1:A",
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      "compound_id": "INCHIKEY:JKMHFZQWWAIEOD-UHFFFAOYSA-N",
      "pdb_id": "9KN9",
      "ligand_instance_id": "PDB:9KN9:LIG:E:EPE:403:.",
      "protein_id": "UP:O96028",
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      "source_role": "buffer/additive",
      "role_code": "buffer_component",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9KN9:LIG:D:A1EF6:402:.:SITE:UP:O96028:PWWP1:A",
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      "ligand_instance_id": "PDB:9KN9:LIG:D:A1EF6:402:.",
      "protein_id": "UP:O96028",
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      "source_role": "experimentally studied covalent ligand",
      "role_code": "reported_covalent_structural_ligand",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
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      "ccd_url": "https://www.rcsb.org/ligand/A1EF6",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9KNA:LIG:J:SO4:402:.:SITE:UP:O96028:PWWP1:B",
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      "ligand_instance_id": "PDB:9KNA:LIG:J:SO4:402:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
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      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "protein_id": "UP:O96028",
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      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
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      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
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      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/9KNA",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
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      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/6XCG",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5VC8:LIG:W:UNX:417:.:SITE:UP:O96028:PWWP1:B",
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      "compound_id": "CCD_UNRESOLVED:UNX",
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      "ligand_instance_id": "PDB:5VC8:LIG:W:UNX:417:.",
      "protein_id": "UP:O96028",
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      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
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      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7VLN:LIG:D:7QC:401:.:SITE:UP:O96028:PWWP1:B",
      "chemical_id": "INCHIKEY:ZMYTUDHTGNNWHO-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:ZMYTUDHTGNNWHO-UHFFFAOYSA-N",
      "pdb_id": "7VLN",
      "ligand_instance_id": "PDB:7VLN:LIG:D:7QC:401:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "experimentally studied ligand",
      "role_code": "reported_studied_structural_ligand",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7VLN",
      "ccd_url": "https://www.rcsb.org/ligand/7QC",
      "coordinate_sha256": "472df8421ea6ecef5b065b858f06bea4b72dd74cece11195144fb5eaf3e05e1c",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9KNA:LIG:L:EPE:404:.:SITE:UP:O96028:PWWP1:B",
      "chemical_id": "INCHIKEY:JKMHFZQWWAIEOD-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:JKMHFZQWWAIEOD-UHFFFAOYSA-N",
      "pdb_id": "9KNA",
      "ligand_instance_id": "PDB:9KNA:LIG:L:EPE:404:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "buffer/additive",
      "role_code": "buffer_component",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/9KNA",
      "ccd_url": "https://www.rcsb.org/ligand/EPE",
      "coordinate_sha256": "21757b20303ea68cd50bffdfa7659337c135d9e7492ac4d656b0f3f865cfdacf",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9KNA:LIG:K:GOL:403:.:SITE:UP:O96028:PWWP1:B",
      "chemical_id": "INCHIKEY:PEDCQBHIVMGVHV-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PEDCQBHIVMGVHV-UHFFFAOYSA-N",
      "pdb_id": "9KNA",
      "ligand_instance_id": "PDB:9KNA:LIG:K:GOL:403:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "cryoprotectant/additive",
      "role_code": "cryoprotectant",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/9KNA",
      "ccd_url": "https://www.rcsb.org/ligand/GOL",
      "coordinate_sha256": "21757b20303ea68cd50bffdfa7659337c135d9e7492ac4d656b0f3f865cfdacf",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7MDN:LIG:K:Y6V:401:.:SITE:UP:O96028:PWWP1:B",
      "chemical_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
      "pdb_id": "7MDN",
      "ligand_instance_id": "PDB:7MDN:LIG:K:Y6V:401:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "experimentally studied ligand",
      "role_code": "reported_studied_structural_ligand",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7MDN",
      "ccd_url": "https://www.rcsb.org/ligand/Y6V",
      "coordinate_sha256": "411eea421108aa7f0e46d8c191904297040016aeabc0f48ef43d4a7503888c2a",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7LMT:LIG:K:Y6V:401:.:SITE:UP:O96028:PWWP1:B",
      "chemical_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
      "pdb_id": "7LMT",
      "ligand_instance_id": "PDB:7LMT:LIG:K:Y6V:401:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "experimentally studied ligand",
      "role_code": "reported_studied_structural_ligand",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7LMT",
      "ccd_url": "https://www.rcsb.org/ligand/Y6V",
      "coordinate_sha256": "fb452dcc9ac176dd436a568f45cd7c3bec865b2422bfae1f7d54a214d9cff6c0",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5VC8:LIG:DA:UNX:404:.:SITE:UP:O96028:PWWP1:B",
      "chemical_id": "CCD_UNRESOLVED:UNX",
      "compound_id": "CCD_UNRESOLVED:UNX",
      "pdb_id": "5VC8",
      "ligand_instance_id": "PDB:5VC8:LIG:DA:UNX:404:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/5VC8",
      "ccd_url": "https://www.rcsb.org/ligand/UNX",
      "coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5VC8:LIG:G:UNX:401:.:SITE:UP:O96028:PWWP1:B",
      "chemical_id": "CCD_UNRESOLVED:UNX",
      "compound_id": "CCD_UNRESOLVED:UNX",
      "pdb_id": "5VC8",
      "ligand_instance_id": "PDB:5VC8:LIG:G:UNX:401:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/5VC8",
      "ccd_url": "https://www.rcsb.org/ligand/UNX",
      "coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:6XCG:LIG:E:V01:401:.:SITE:UP:O96028:PWWP1:B",
      "chemical_id": "INCHIKEY:KOZGEDUWAQFVAV-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:KOZGEDUWAQFVAV-UHFFFAOYSA-N",
      "pdb_id": "6XCG",
      "ligand_instance_id": "PDB:6XCG:LIG:E:V01:401:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "experimentally studied ligand",
      "role_code": "reported_studied_structural_ligand",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/6XCG",
      "ccd_url": "https://www.rcsb.org/ligand/V01",
      "coordinate_sha256": "2c370701c9b83de7ae6137f91d2130519a48c261a93ec5bc480dfcc3bc982200",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:6UE6:LIG:S:Q5D:2001:.:SITE:UP:O96028:PWWP1:B",
      "chemical_id": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N",
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      "pdb_id": "6UE6",
      "ligand_instance_id": "PDB:6UE6:LIG:S:Q5D:2001:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "experimentally studied ligand",
      "role_code": "reported_studied_structural_ligand",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/6UE6",
      "ccd_url": "https://www.rcsb.org/ligand/Q5D",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:29HH:LIG:H:A1J20:501:.:SITE:UP:O96028:PWWP1:B",
      "chemical_id": "INCHIKEY:DEWAWAOVHSEUOF-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:DEWAWAOVHSEUOF-UHFFFAOYSA-N",
      "pdb_id": "29HH",
      "ligand_instance_id": "PDB:29HH:LIG:H:A1J20:501:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "experimentally studied degrader",
      "role_code": "reported_degrader_structural_ligand",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/29HH",
      "ccd_url": "https://www.rcsb.org/ligand/A1J20",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:29HG:LIG:F:A1J20:1401:.:SITE:UP:O96028:PWWP1:B",
      "chemical_id": "INCHIKEY:DEWAWAOVHSEUOF-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:DEWAWAOVHSEUOF-UHFFFAOYSA-N",
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      "ligand_instance_id": "PDB:29HG:LIG:F:A1J20:1401:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "experimentally studied degrader",
      "role_code": "reported_degrader_structural_ligand",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
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      "ccd_url": "https://www.rcsb.org/ligand/A1J20",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:29HI:LIG:F:A1J21:501:.:SITE:UP:O96028:PWWP1:B",
      "chemical_id": "INCHIKEY:AIMZAKOWTDKKHP-HNECRKQMSA-N",
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      "ligand_instance_id": "PDB:29HI:LIG:F:A1J21:501:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "experimentally studied degrader",
      "role_code": "reported_degrader_structural_ligand",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
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      "ccd_url": "https://www.rcsb.org/ligand/A1J21",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9EXY:LIG:D:A1H7Z:401:.:SITE:UP:O96028:PWWP1:B",
      "chemical_id": "INCHIKEY:GCVYFXYBQCKHCH-UHFFFAOYSA-N",
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      "ligand_instance_id": "PDB:9EXY:LIG:D:A1H7Z:401:.",
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      "source_role": "experimentally studied ligand",
      "role_code": "reported_studied_structural_ligand",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
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      "structural_research_ligand": true,
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9EXW:LIG:F:A1H7X:401:.:SITE:UP:O96028:PWWP1:B",
      "chemical_id": "INCHIKEY:APUAYMXUHLOPLQ-UHFFFAOYSA-N",
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      "ligand_instance_id": "PDB:9EXW:LIG:F:A1H7X:401:.",
      "protein_id": "UP:O96028",
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      "source_role": "experimentally studied ligand",
      "role_code": "reported_studied_structural_ligand",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
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      "structural_research_ligand": true,
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9EXX:LIG:K:A1H7Y:406:.:SITE:UP:O96028:PWWP1:B",
      "chemical_id": "INCHIKEY:IRSPYYYZACJWSE-UHFFFAOYSA-N",
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      "ligand_instance_id": "PDB:9EXX:LIG:K:A1H7Y:406:.",
      "protein_id": "UP:O96028",
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      "source_role": "experimentally studied ligand",
      "role_code": "reported_studied_structural_ligand",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9FOC:LIG:E:A1IEG:401:.:SITE:UP:O96028:PWWP1:B",
      "chemical_id": "INCHIKEY:FPDVOQXTUVFQHW-KBPBESRZSA-N",
      "compound_id": "INCHIKEY:FPDVOQXTUVFQHW-KBPBESRZSA-N",
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      "ligand_instance_id": "PDB:9FOC:LIG:E:A1IEG:401:.",
      "protein_id": "UP:O96028",
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      "source_role": "experimentally studied ligand",
      "role_code": "reported_studied_structural_ligand",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
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      "structural_research_ligand": true,
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      "ccd_url": "https://www.rcsb.org/ligand/A1IEG",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "chemical_id": "INCHIKEY:FPDVOQXTUVFQHW-KGLIPLIRSA-N",
      "compound_id": "INCHIKEY:FPDVOQXTUVFQHW-KGLIPLIRSA-N",
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      "ligand_instance_id": "PDB:9FOC:LIG:F:A1IFS:402:.",
      "protein_id": "UP:O96028",
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      "source_role": "experimentally studied ligand",
      "role_code": "reported_studied_structural_ligand",
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      "exact_pwwp_contact": true,
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5NRS:LIG:I:962:404:.:SITE:UP:Q9UBC3:PWWP1:B",
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      "compound_id": "INCHIKEY:HHKUQCFQGCCLGA-YUMQZZPRSA-N",
      "pdb_id": "5NRS",
      "ligand_instance_id": "PDB:5NRS:LIG:I:962:404:.",
      "protein_id": "UP:Q9UBC3",
      "domain_id": "UP:Q9UBC3:PWWP1",
      "source_role": "experimentally deposited ligand",
      "role_code": "deposited_research_ligand",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/5NRS",
      "ccd_url": "https://www.rcsb.org/ligand/962",
      "coordinate_sha256": "a9f3140c8fe61aee17ed09b3c67bc8a7bda6fe726e5e5eb80203676d4492f602",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5NV0:LIG:I:9AH:401:.:SITE:UP:Q9UBC3:PWWP1:B",
      "chemical_id": "INCHIKEY:FLJPZKPNJVGMHO-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:FLJPZKPNJVGMHO-UHFFFAOYSA-N",
      "pdb_id": "5NV0",
      "ligand_instance_id": "PDB:5NV0:LIG:I:9AH:401:.",
      "protein_id": "UP:Q9UBC3",
      "domain_id": "UP:Q9UBC3:PWWP1",
      "source_role": "experimentally deposited ligand",
      "role_code": "deposited_research_ligand",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/5NV0",
      "ccd_url": "https://www.rcsb.org/ligand/9AH",
      "coordinate_sha256": "22acb380ed92e41a32434c5fca7f97c6ac12d30f80023a184e6f74d1dfff3729",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5NRR:LIG:G:96E:401:.:SITE:UP:Q9UBC3:PWWP1:B",
      "chemical_id": "INCHIKEY:XJBJEDGBRSPREH-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:XJBJEDGBRSPREH-UHFFFAOYSA-N",
      "pdb_id": "5NRR",
      "ligand_instance_id": "PDB:5NRR:LIG:G:96E:401:.",
      "protein_id": "UP:Q9UBC3",
      "domain_id": "UP:Q9UBC3:PWWP1",
      "source_role": "experimentally deposited ligand",
      "role_code": "deposited_research_ligand",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/5NRR",
      "ccd_url": "https://www.rcsb.org/ligand/96E",
      "coordinate_sha256": "ab09d824a29b987279f6178899a03ddb8e496509769ce2e3558b670c6826e1e0",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:3QKJ:LIG:H:BTB:356:.:SITE:UP:Q9UBC3:PWWP1:B",
      "chemical_id": "INCHIKEY:OWMVSZAMULFTJU-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:OWMVSZAMULFTJU-UHFFFAOYSA-N",
      "pdb_id": "3QKJ",
      "ligand_instance_id": "PDB:3QKJ:LIG:H:BTB:356:.",
      "protein_id": "UP:Q9UBC3",
      "domain_id": "UP:Q9UBC3:PWWP1",
      "source_role": "buffer/additive",
      "role_code": "buffer_component",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/3QKJ",
      "ccd_url": "https://www.rcsb.org/ligand/BTB",
      "coordinate_sha256": "e94a2082f64ba107b7c13187a1af6dc528db6e5340be742ad57500d752199174",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9KNA:LIG:I:6Y3:401:.:SITE:UP:O96028:PWWP1:B",
      "chemical_id": "INCHIKEY:MAEAMJWLVXANNO-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:MAEAMJWLVXANNO-UHFFFAOYSA-N",
      "pdb_id": "9KNA",
      "ligand_instance_id": "PDB:9KNA:LIG:I:6Y3:401:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "experimentally studied covalent ligand",
      "role_code": "reported_covalent_structural_ligand",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/9KNA",
      "ccd_url": "https://www.rcsb.org/ligand/6Y3",
      "coordinate_sha256": "21757b20303ea68cd50bffdfa7659337c135d9e7492ac4d656b0f3f865cfdacf",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5NVO:LIG:M:SO4:404:.:SITE:UP:Q9UBC3:PWWP1:B",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "5NVO",
      "ligand_instance_id": "PDB:5NVO:LIG:M:SO4:404:.",
      "protein_id": "UP:Q9UBC3",
      "domain_id": "UP:Q9UBC3:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/5NVO",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "2064abc26e049d5b45a8e32a53fa1536f42e4d3017076d719e8a29a5a6b4ae9c",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5NV2:LIG:L:SO4:404:.:SITE:UP:Q9UBC3:PWWP1:B",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "5NV2",
      "ligand_instance_id": "PDB:5NV2:LIG:L:SO4:404:.",
      "protein_id": "UP:Q9UBC3",
      "domain_id": "UP:Q9UBC3:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/5NV2",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "90c69902789421dcb9c6982f74df193641fd6d84bf5163de125de814878ab7b1",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5NV0:LIG:M:SO4:405:.:SITE:UP:Q9UBC3:PWWP1:B",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "5NV0",
      "ligand_instance_id": "PDB:5NV0:LIG:M:SO4:405:.",
      "protein_id": "UP:Q9UBC3",
      "domain_id": "UP:Q9UBC3:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/5NV0",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "22acb380ed92e41a32434c5fca7f97c6ac12d30f80023a184e6f74d1dfff3729",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5NV2:LIG:I:9AE:401:.:SITE:UP:Q9UBC3:PWWP1:B",
      "chemical_id": "INCHIKEY:NKGYBXHAQAKSSG-NSHDSACASA-N",
      "compound_id": "INCHIKEY:NKGYBXHAQAKSSG-NSHDSACASA-N",
      "pdb_id": "5NV2",
      "ligand_instance_id": "PDB:5NV2:LIG:I:9AE:401:.",
      "protein_id": "UP:Q9UBC3",
      "domain_id": "UP:Q9UBC3:PWWP1",
      "source_role": "experimentally deposited ligand",
      "role_code": "deposited_research_ligand",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/5NV2",
      "ccd_url": "https://www.rcsb.org/ligand/9AE",
      "coordinate_sha256": "90c69902789421dcb9c6982f74df193641fd6d84bf5163de125de814878ab7b1",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5CIU:LIG:C:M3L:36:9:SITE:UP:Q9UBC3:PWWP1:B",
      "chemical_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O",
      "compound_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O",
      "pdb_id": "5CIU",
      "ligand_instance_id": "PDB:5CIU:LIG:C:M3L:36:9",
      "protein_id": "UP:Q9UBC3",
      "domain_id": "UP:Q9UBC3:PWWP1",
      "source_role": null,
      "role_code": "unclassified_biological_component",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/5CIU",
      "ccd_url": "https://www.rcsb.org/ligand/M3L",
      "coordinate_sha256": "0759e722499aa9a96aa5e738fbd6773e6535ed24b783f5096eca6b85b40bfbb6",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5NR3:LIG:G:95E:401:.:SITE:UP:Q9UBC3:PWWP1:B",
      "chemical_id": "INCHIKEY:AEUTYOVWOVBAKS-UWVGGRQHSA-N",
      "compound_id": "INCHIKEY:AEUTYOVWOVBAKS-UWVGGRQHSA-N",
      "pdb_id": "5NR3",
      "ligand_instance_id": "PDB:5NR3:LIG:G:95E:401:.",
      "protein_id": "UP:Q9UBC3",
      "domain_id": "UP:Q9UBC3:PWWP1",
      "source_role": "experimentally deposited ligand",
      "role_code": "deposited_research_ligand",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/5NR3",
      "ccd_url": "https://www.rcsb.org/ligand/95E",
      "coordinate_sha256": "44a1bc37a1ec9502897975301189695e250abc526861869774ca6a1d0adc0dab",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5NVO:LIG:J:CHT:401:.:SITE:UP:Q9UBC3:PWWP1:B",
      "chemical_id": "INCHIKEY:OEYIOHPDSNJKLS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:OEYIOHPDSNJKLS-UHFFFAOYSA-N",
      "pdb_id": "5NVO",
      "ligand_instance_id": "PDB:5NVO:LIG:J:CHT:401:.",
      "protein_id": "UP:Q9UBC3",
      "domain_id": "UP:Q9UBC3:PWWP1",
      "source_role": "experimentally deposited ligand",
      "role_code": "deposited_research_ligand",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/5NVO",
      "ccd_url": "https://www.rcsb.org/ligand/CHT",
      "coordinate_sha256": "2064abc26e049d5b45a8e32a53fa1536f42e4d3017076d719e8a29a5a6b4ae9c",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5NV7:LIG:F:9AK:401:.:SITE:UP:Q9UBC3:PWWP1:B",
      "chemical_id": "INCHIKEY:OEDKOOAJXTXCQZ-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:OEDKOOAJXTXCQZ-UHFFFAOYSA-N",
      "pdb_id": "5NV7",
      "ligand_instance_id": "PDB:5NV7:LIG:F:9AK:401:.",
      "protein_id": "UP:Q9UBC3",
      "domain_id": "UP:Q9UBC3:PWWP1",
      "source_role": "experimentally deposited ligand",
      "role_code": "deposited_research_ligand",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/5NV7",
      "ccd_url": "https://www.rcsb.org/ligand/9AK",
      "coordinate_sha256": "ab98f5d00f60fe78b9b0cc391381b550dca1ff8f496b469a7bc4dab2c5e66875",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5NRS:LIG:G:SO4:402:.:SITE:UP:Q9UBC3:PWWP1:B",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "5NRS",
      "ligand_instance_id": "PDB:5NRS:LIG:G:SO4:402:.",
      "protein_id": "UP:Q9UBC3",
      "domain_id": "UP:Q9UBC3:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/5NRS",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "a9f3140c8fe61aee17ed09b3c67bc8a7bda6fe726e5e5eb80203676d4492f602",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5NV7:LIG:I:SO4:404:.:SITE:UP:Q9UBC3:PWWP1:B",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "5NV7",
      "ligand_instance_id": "PDB:5NV7:LIG:I:SO4:404:.",
      "protein_id": "UP:Q9UBC3",
      "domain_id": "UP:Q9UBC3:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/5NV7",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "ab98f5d00f60fe78b9b0cc391381b550dca1ff8f496b469a7bc4dab2c5e66875",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9KNA:LIG:F:GOL:404:.:SITE:UP:O96028:PWWP1:B",
      "chemical_id": "INCHIKEY:PEDCQBHIVMGVHV-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PEDCQBHIVMGVHV-UHFFFAOYSA-N",
      "pdb_id": "9KNA",
      "ligand_instance_id": "PDB:9KNA:LIG:F:GOL:404:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "cryoprotectant/additive",
      "role_code": "cryoprotectant",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/9KNA",
      "ccd_url": "https://www.rcsb.org/ligand/GOL",
      "coordinate_sha256": "21757b20303ea68cd50bffdfa7659337c135d9e7492ac4d656b0f3f865cfdacf",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:6UE6:LIG:X:UNX:2006:.:SITE:UP:O96028:PWWP1:B",
      "chemical_id": "CCD_UNRESOLVED:UNX",
      "compound_id": "CCD_UNRESOLVED:UNX",
      "pdb_id": "6UE6",
      "ligand_instance_id": "PDB:6UE6:LIG:X:UNX:2006:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/6UE6",
      "ccd_url": "https://www.rcsb.org/ligand/UNX",
      "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9KNA:LIG:D:SO4:402:.:SITE:UP:O96028:PWWP1:B",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "9KNA",
      "ligand_instance_id": "PDB:9KNA:LIG:D:SO4:402:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/9KNA",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9KNA:LIG:C:6Y3:401:.:SITE:UP:O96028:PWWP1:B",
      "chemical_id": "INCHIKEY:MAEAMJWLVXANNO-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:MAEAMJWLVXANNO-UHFFFAOYSA-N",
      "pdb_id": "9KNA",
      "ligand_instance_id": "PDB:9KNA:LIG:C:6Y3:401:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "experimentally studied covalent ligand",
      "role_code": "reported_covalent_structural_ligand",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/9KNA",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5VC8:LIG:KA:UNX:411:.:SITE:UP:O96028:PWWP1:B",
      "chemical_id": "CCD_UNRESOLVED:UNX",
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      "ligand_instance_id": "PDB:5VC8:LIG:KA:UNX:411:.",
      "protein_id": "UP:O96028",
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      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "native_annotation_core_contact",
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      "source_url": "https://www.rcsb.org/structure/5VC8",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5VC8:LIG:JA:UNX:410:.:SITE:UP:O96028:PWWP1:B",
      "chemical_id": "CCD_UNRESOLVED:UNX",
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      "ligand_instance_id": "PDB:5VC8:LIG:JA:UNX:410:.",
      "protein_id": "UP:O96028",
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      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
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      "exact_pwwp_contact": false,
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      "source_url": "https://www.rcsb.org/structure/5VC8",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9I7E:LIG:E:EDO:102:.:SITE:UP:Q7Z4V5:PWWP1:B",
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      "ligand_instance_id": "PDB:9I7E:LIG:E:EDO:102:.",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:3LLR:LIG:G:BTB:154:.:SITE:UP:Q9Y6K1:PWWP1:B",
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      "ligand_instance_id": "PDB:3LLR:LIG:G:BTB:154:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "buffer/additive",
      "role_code": "buffer_component",
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      "exact_pwwp_contact": true,
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      "source_url": "https://www.rcsb.org/structure/3LLR",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9KN9:LIG:F:SO4:401:.:SITE:UP:O96028:PWWP1:A",
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      "protein_id": "UP:O96028",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "ligand_instance_id": "PDB:9KNA:LIG:E:SO4:403:.",
      "protein_id": "UP:O96028",
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      "source_role": "ion/additive",
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      "exact_pwwp_contact": true,
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      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/9KNA",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "compound_id": "CCD_UNRESOLVED:UNX",
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      "ligand_instance_id": "PDB:5VC8:LIG:GA:UNX:407:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "native_annotation_core_contact",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5VC8:LIG:HA:UNX:408:.:SITE:UP:O96028:PWWP1:B",
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      "ligand_instance_id": "PDB:5VC8:LIG:HA:UNX:408:.",
      "protein_id": "UP:O96028",
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      "source_role": "unknown chemical component",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "verification_status": "phase5_derived_deposited_geometry",
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "verification_status": "phase5_derived_deposited_geometry",
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "verification_status": "phase5_derived_deposited_geometry",
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    },
    {
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      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "ligand_instance_id": "PDB:3QKJ:LIG:J:SO4:6:.",
      "protein_id": "UP:Q9UBC3",
      "domain_id": "UP:Q9UBC3:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
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      "source_url": "https://www.rcsb.org/structure/3QKJ",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5VC8:LIG:H:UNX:402:.:SITE:UP:O96028:PWWP1:B",
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      "ligand_instance_id": "PDB:5VC8:LIG:H:UNX:402:.",
      "protein_id": "UP:O96028",
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      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "ligand_instance_id": "PDB:6UE6:LIG:V:UNX:2004:.",
      "protein_id": "UP:O96028",
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      "source_role": "unknown chemical component",
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      "ccd_url": "https://www.rcsb.org/ligand/UNX",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:3LLR:LIG:H:SO4:155:.:SITE:UP:Q9Y6K1:PWWP1:B",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
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      "pdb_id": "3LLR",
      "ligand_instance_id": "PDB:3LLR:LIG:H:SO4:155:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
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      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/3LLR",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:6UE6:LIG:Z:UNX:2008:.:SITE:UP:O96028:PWWP1:B",
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      "ligand_instance_id": "PDB:6UE6:LIG:Z:UNX:2008:.",
      "protein_id": "UP:O96028",
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      "source_role": "unknown chemical component",
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      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/6UE6",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5NV2:LIG:H:SO4:406:.:SITE:UP:Q9UBC3:PWWP1:B",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
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      "ligand_instance_id": "PDB:5NV2:LIG:H:SO4:406:.",
      "protein_id": "UP:Q9UBC3",
      "domain_id": "UP:Q9UBC3:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
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      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
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      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/5NV2",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5NVO:LIG:G:SO4:405:.:SITE:UP:Q9UBC3:PWWP1:B",
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      "ligand_instance_id": "PDB:5NVO:LIG:G:SO4:405:.",
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      "source_role": "ion/additive",
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      "source_url": "https://www.rcsb.org/structure/5NVO",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5NV0:LIG:G:SO4:405:.:SITE:UP:Q9UBC3:PWWP1:B",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5VC8:LIG:PA:UNX:416:.:SITE:UP:O96028:PWWP1:B",
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      "ligand_instance_id": "PDB:5VC8:LIG:PA:UNX:416:.",
      "protein_id": "UP:O96028",
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      "source_role": "unknown chemical component",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7MDN:LIG:N:Y6V:401:.:SITE:UP:O96028:PWWP1:B",
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      "ligand_instance_id": "PDB:7MDN:LIG:N:Y6V:401:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "experimentally studied ligand",
      "role_code": "reported_studied_structural_ligand",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
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      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
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    },
    {
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      "protein_id": "UP:O96028",
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      "source_role": "experimentally studied ligand",
      "role_code": "reported_studied_structural_ligand",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:6UE6:LIG:I:Q5D:2001:.:SITE:UP:O96028:PWWP1:B",
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      "source_role": "experimentally studied ligand",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "protein_id": "UP:O96028",
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      "source_role": "solvent",
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      "role_group": "other_component",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "source_role": "unknown chemical component",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "protein_id": "UP:O96028",
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      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
      "role_group": "context_unresolved",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "domain_id": "UP:Q9UBC3:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
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      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/5NV0",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "protein_id": "UP:O96028",
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      "source_role": "unknown chemical component",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:6G3T:LIG:F:EPE:401:.:SITE:UP:Q9BZ95:PWWP1:B",
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      "ligand_instance_id": "PDB:6G3T:LIG:F:EPE:401:.",
      "protein_id": "UP:Q9BZ95",
      "domain_id": "UP:Q9BZ95:PWWP1",
      "source_role": "buffer/additive",
      "role_code": "buffer_component",
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      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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    },
    {
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    {
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    {
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    {
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    {
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    {
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      "source_url": "https://www.rcsb.org/structure/5NRR",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "ab09d824a29b987279f6178899a03ddb8e496509769ce2e3558b670c6826e1e0",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5NV7:LIG:H:SO4:403:.:SITE:UP:Q9UBC3:PWWP1:B",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "5NV7",
      "ligand_instance_id": "PDB:5NV7:LIG:H:SO4:403:.",
      "protein_id": "UP:Q9UBC3",
      "domain_id": "UP:Q9UBC3:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "broader_Pfam_PWWP_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/5NV7",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "ab98f5d00f60fe78b9b0cc391381b550dca1ff8f496b469a7bc4dab2c5e66875",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5NV2:LIG:J:SO4:402:.:SITE:UP:Q9UBC3:PWWP1:B",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "5NV2",
      "ligand_instance_id": "PDB:5NV2:LIG:J:SO4:402:.",
      "protein_id": "UP:Q9UBC3",
      "domain_id": "UP:Q9UBC3:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "broader_Pfam_PWWP_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/5NV2",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "90c69902789421dcb9c6982f74df193641fd6d84bf5163de125de814878ab7b1",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5NRS:LIG:F:SO4:401:.:SITE:UP:Q9UBC3:PWWP1:B",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "5NRS",
      "ligand_instance_id": "PDB:5NRS:LIG:F:SO4:401:.",
      "protein_id": "UP:Q9UBC3",
      "domain_id": "UP:Q9UBC3:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "broader_Pfam_PWWP_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/5NRS",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "a9f3140c8fe61aee17ed09b3c67bc8a7bda6fe726e5e5eb80203676d4492f602",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5NVO:LIG:K:SO4:402:.:SITE:UP:Q9UBC3:PWWP1:B",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "5NVO",
      "ligand_instance_id": "PDB:5NVO:LIG:K:SO4:402:.",
      "protein_id": "UP:Q9UBC3",
      "domain_id": "UP:Q9UBC3:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "broader_Pfam_PWWP_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/5NVO",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "2064abc26e049d5b45a8e32a53fa1536f42e4d3017076d719e8a29a5a6b4ae9c",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5NV0:LIG:H:SO4:406:.:SITE:UP:Q9UBC3:PWWP1:B",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "5NV0",
      "ligand_instance_id": "PDB:5NV0:LIG:H:SO4:406:.",
      "protein_id": "UP:Q9UBC3",
      "domain_id": "UP:Q9UBC3:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "broader_Pfam_PWWP_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/5NV0",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "22acb380ed92e41a32434c5fca7f97c6ac12d30f80023a184e6f74d1dfff3729",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5VC8:LIG:SA:UNX:419:.:SITE:UP:O96028:PWWP1:B",
      "chemical_id": "CCD_UNRESOLVED:UNX",
      "compound_id": "CCD_UNRESOLVED:UNX",
      "pdb_id": "5VC8",
      "ligand_instance_id": "PDB:5VC8:LIG:SA:UNX:419:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "broader_Pfam_PWWP_contact",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/5VC8",
      "ccd_url": "https://www.rcsb.org/ligand/UNX",
      "coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:6XCG:LIG:G:UNX:403:.:SITE:UP:O96028:PWWP1:B",
      "chemical_id": "CCD_UNRESOLVED:UNX",
      "compound_id": "CCD_UNRESOLVED:UNX",
      "pdb_id": "6XCG",
      "ligand_instance_id": "PDB:6XCG:LIG:G:UNX:403:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "broader_Pfam_PWWP_contact",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/6XCG",
      "ccd_url": "https://www.rcsb.org/ligand/UNX",
      "coordinate_sha256": "2c370701c9b83de7ae6137f91d2130519a48c261a93ec5bc480dfcc3bc982200",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9EXX:LIG:H:EDO:403:.:SITE:UP:O96028:PWWP1:B",
      "chemical_id": "INCHIKEY:LYCAIKOWRPUZTN-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:LYCAIKOWRPUZTN-UHFFFAOYSA-N",
      "pdb_id": "9EXX",
      "ligand_instance_id": "PDB:9EXX:LIG:H:EDO:403:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "cryoprotectant/additive",
      "role_code": "cryoprotectant",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "broader_Pfam_PWWP_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/9EXX",
      "ccd_url": "https://www.rcsb.org/ligand/EDO",
      "coordinate_sha256": "4ef651cb3bade2458fffbd850521dfbd402b610696c1497284792c0f1355d126",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5VC8:LIG:MA:UNX:413:.:SITE:UP:O96028:PWWP1:B",
      "chemical_id": "CCD_UNRESOLVED:UNX",
      "compound_id": "CCD_UNRESOLVED:UNX",
      "pdb_id": "5VC8",
      "ligand_instance_id": "PDB:5VC8:LIG:MA:UNX:413:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "broader_Pfam_PWWP_contact",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/5VC8",
      "ccd_url": "https://www.rcsb.org/ligand/UNX",
      "coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9EXW:LIG:D:EDO:402:.:SITE:UP:O96028:PWWP1:B",
      "chemical_id": "INCHIKEY:LYCAIKOWRPUZTN-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:LYCAIKOWRPUZTN-UHFFFAOYSA-N",
      "pdb_id": "9EXW",
      "ligand_instance_id": "PDB:9EXW:LIG:D:EDO:402:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "cryoprotectant/additive",
      "role_code": "cryoprotectant",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "broader_Pfam_PWWP_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/9EXW",
      "ccd_url": "https://www.rcsb.org/ligand/EDO",
      "coordinate_sha256": "5932fc10a492b4fa2d43f84d90f222053026ed6b35a587f3dbacd80e6f4297f7",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9KNA:LIG:H:SO4:406:.:SITE:UP:O96028:PWWP1:B",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "9KNA",
      "ligand_instance_id": "PDB:9KNA:LIG:H:SO4:406:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "broader_Pfam_PWWP_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/9KNA",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "21757b20303ea68cd50bffdfa7659337c135d9e7492ac4d656b0f3f865cfdacf",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9EXX:LIG:E:A1H7Y:403:.:SITE:UP:O96028:PWWP1:B",
      "chemical_id": "INCHIKEY:IRSPYYYZACJWSE-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:IRSPYYYZACJWSE-UHFFFAOYSA-N",
      "pdb_id": "9EXX",
      "ligand_instance_id": "PDB:9EXX:LIG:E:A1H7Y:403:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "experimentally studied ligand",
      "role_code": "reported_studied_structural_ligand",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "broader_Pfam_PWWP_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/9EXX",
      "ccd_url": "https://www.rcsb.org/ligand/A1H7Y",
      "coordinate_sha256": "4ef651cb3bade2458fffbd850521dfbd402b610696c1497284792c0f1355d126",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9EXW:LIG:E:A1H7X:403:.:SITE:UP:O96028:PWWP1:B",
      "chemical_id": "INCHIKEY:APUAYMXUHLOPLQ-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:APUAYMXUHLOPLQ-UHFFFAOYSA-N",
      "pdb_id": "9EXW",
      "ligand_instance_id": "PDB:9EXW:LIG:E:A1H7X:403:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "experimentally studied ligand",
      "role_code": "reported_studied_structural_ligand",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "broader_Pfam_PWWP_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/9EXW",
      "ccd_url": "https://www.rcsb.org/ligand/A1H7X",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9EXX:LIG:G:EDO:402:.:SITE:UP:O96028:PWWP1:B",
      "chemical_id": "INCHIKEY:LYCAIKOWRPUZTN-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:LYCAIKOWRPUZTN-UHFFFAOYSA-N",
      "pdb_id": "9EXX",
      "ligand_instance_id": "PDB:9EXX:LIG:G:EDO:402:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "cryoprotectant/additive",
      "role_code": "cryoprotectant",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "broader_Pfam_PWWP_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/9EXX",
      "ccd_url": "https://www.rcsb.org/ligand/EDO",
      "coordinate_sha256": "4ef651cb3bade2458fffbd850521dfbd402b610696c1497284792c0f1355d126",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:6UE6:LIG:T:UNX:2002:.:SITE:UP:O96028:PWWP1:B",
      "chemical_id": "CCD_UNRESOLVED:UNX",
      "compound_id": "CCD_UNRESOLVED:UNX",
      "pdb_id": "6UE6",
      "ligand_instance_id": "PDB:6UE6:LIG:T:UNX:2002:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "broader_Pfam_PWWP_contact",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/6UE6",
      "ccd_url": "https://www.rcsb.org/ligand/UNX",
      "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9EXX:LIG:F:EDO:401:.:SITE:UP:O96028:PWWP1:B",
      "chemical_id": "INCHIKEY:LYCAIKOWRPUZTN-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:LYCAIKOWRPUZTN-UHFFFAOYSA-N",
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      "ligand_instance_id": "PDB:9EXX:LIG:F:EDO:401:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "cryoprotectant/additive",
      "role_code": "cryoprotectant",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "broader_Pfam_PWWP_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/9EXX",
      "ccd_url": "https://www.rcsb.org/ligand/EDO",
      "coordinate_sha256": "4ef651cb3bade2458fffbd850521dfbd402b610696c1497284792c0f1355d126",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9EXW:LIG:C:EDO:401:.:SITE:UP:O96028:PWWP1:B",
      "chemical_id": "INCHIKEY:LYCAIKOWRPUZTN-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:LYCAIKOWRPUZTN-UHFFFAOYSA-N",
      "pdb_id": "9EXW",
      "ligand_instance_id": "PDB:9EXW:LIG:C:EDO:401:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "cryoprotectant/additive",
      "role_code": "cryoprotectant",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "broader_Pfam_PWWP_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/9EXW",
      "ccd_url": "https://www.rcsb.org/ligand/EDO",
      "coordinate_sha256": "5932fc10a492b4fa2d43f84d90f222053026ed6b35a587f3dbacd80e6f4297f7",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:6UE6:LIG:M:UNX:2005:.:SITE:UP:O96028:PWWP1:B",
      "chemical_id": "CCD_UNRESOLVED:UNX",
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      "ligand_instance_id": "PDB:6UE6:LIG:M:UNX:2005:.",
      "protein_id": "UP:O96028",
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      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
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    },
    {
      "site_id": "PDB:5VC8:LIG:QA:UNX:417:.:SITE:UP:O96028:PWWP1:B",
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      "ligand_instance_id": "PDB:5VC8:LIG:QA:UNX:417:.",
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      "source_role": "unknown chemical component",
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      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
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    },
    {
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      "ligand_instance_id": "PDB:5VC8:LIG:NA:UNX:414:.",
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      "source_role": "unknown chemical component",
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      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
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    },
    {
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      "ligand_instance_id": "PDB:6UE6:LIG:CA:UNX:2011:.",
      "protein_id": "UP:O96028",
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      "source_role": "unknown chemical component",
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      "source_url": "https://www.rcsb.org/structure/6UE6",
      "ccd_url": "https://www.rcsb.org/ligand/UNX",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9KN9:LIG:C:SO4:401:.:SITE:UP:O96028:PWWP1:A",
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      "ligand_instance_id": "PDB:9KN9:LIG:C:SO4:401:.",
      "protein_id": "UP:O96028",
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      "source_role": "ion/additive",
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      "contact_class": "broader_Pfam_PWWP_contact",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
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    },
    {
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      "ligand_instance_id": "PDB:9G96:LIG:L:SO4:106:.",
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      "source_role": "ion/additive",
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      "source_url": "https://www.rcsb.org/structure/9G96",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "source_role": "ion/additive",
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "ligand_instance_id": "PDB:6IIP:LIG:H:SO4:102:.",
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      "exact_pwwp_contact": true,
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      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
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    },
    {
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      "protein_id": "UP:Q2TAK8",
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      "source_role": "crystallization additive",
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      "role_group": "other_component",
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      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
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    },
    {
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      "ligand_instance_id": "PDB:3QBY:LIG:V:UNX:98:.",
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      "source_role": "unknown chemical component",
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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    {
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    },
    {
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      "domain_id": "UP:Q9Y3E1:PWWP1",
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    },
    {
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      "source_role": "unknown chemical component",
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    },
    {
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    },
    {
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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    },
    {
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    },
    {
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    },
    {
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    },
    {
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    },
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    },
    {
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    },
    {
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    },
    {
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    },
    {
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    },
    {
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    },
    {
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    },
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    },
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    },
    {
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    },
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    },
    {
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    },
    {
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    },
    {
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    },
    {
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    },
    {
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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    },
    {
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    },
    {
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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    {
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    },
    {
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    },
    {
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    },
    {
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    },
    {
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    },
    {
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    },
    {
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    },
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    },
    {
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    },
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    },
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    },
    {
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    },
    {
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    },
    {
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    },
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    },
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    {
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      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGU:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
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      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HHI:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
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      "ligand_instance_id": "PDB:7HHI:LIG:H:SO4:101:.",
      "protein_id": "UP:Q7Z4V5",
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      "verification_status": "phase5_derived_deposited_geometry",
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HHH:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
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      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HH0:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
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      "ccd_url": "https://www.rcsb.org/ligand/SO4",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGI:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
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      "ligand_instance_id": "PDB:7HGI:LIG:H:SO4:101:.",
      "protein_id": "UP:Q7Z4V5",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HHQ:LIG:I:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HG1:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
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    },
    {
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HH3:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
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      "source_role": "ion/additive",
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      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGJ:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "ccd_url": "https://www.rcsb.org/ligand/SO4",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGW:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "7HGW",
      "ligand_instance_id": "PDB:7HGW:LIG:H:SO4:101:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "broader_Pfam_PWWP_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/7HGW",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "6dbdfa4ff41e043f15740d8500f8208c46bf66a1abc473923aec759755e1c310",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGL:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "7HGL",
      "ligand_instance_id": "PDB:7HGL:LIG:H:SO4:101:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "broader_Pfam_PWWP_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/7HGL",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "91c262b125e9110110e8d2c8f8bdaa49b0ee49c11fefa4532511fee0fd882b2a",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9GRU:LIG:H:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:B",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "9GRU",
      "ligand_instance_id": "PDB:9GRU:LIG:H:SO4:102:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "broader_Pfam_PWWP_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/9GRU",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "481160fdc641812244d0c1df4f35c0e6580c28aaa30fd87bb2a2cd1b980c486c",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGQ:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "7HGQ",
      "ligand_instance_id": "PDB:7HGQ:LIG:H:SO4:101:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "broader_Pfam_PWWP_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/7HGQ",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "d0b40399ea633fa30c029195678df2fc7f3549e85a2f116247092761b4be7d55",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HH8:LIG:J:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:B",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "7HH8",
      "ligand_instance_id": "PDB:7HH8:LIG:J:SO4:102:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "broader_Pfam_PWWP_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/7HH8",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "3251ddf4154454b01892cc2df8128bc5179388b4d51210a6201d2324a8037aa3",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9G96:LIG:K:SO4:105:.:SITE:UP:Q7Z4V5:PWWP1:B",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "9G96",
      "ligand_instance_id": "PDB:9G96:LIG:K:SO4:105:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "broader_Pfam_PWWP_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/9G96",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "db835a0c10cdf7b71baef223f6c406631cc9ba018ebe804c89b249dba0089c0a",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9G91:LIG:J:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:B",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "9G91",
      "ligand_instance_id": "PDB:9G91:LIG:J:SO4:104:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "broader_Pfam_PWWP_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/9G91",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "6135b2956104f55e38a95ea7e38d930f96fa62f166744927e69fd39b8605ad43",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:3QBY:LIG:W:UNX:99:.:SITE:UP:Q7Z4V5:PWWP1:B",
      "chemical_id": "CCD_UNRESOLVED:UNX",
      "compound_id": "CCD_UNRESOLVED:UNX",
      "pdb_id": "3QBY",
      "ligand_instance_id": "PDB:3QBY:LIG:W:UNX:99:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/3QBY",
      "ccd_url": "https://www.rcsb.org/ligand/UNX",
      "coordinate_sha256": "4f5a434d2509ed7339960ff4604249a6c018761b14e740b671f8a7013873a3b2",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:4Z02:LIG:N:UNX:1103:.:SITE:UP:O95696:PWWP1:B",
      "chemical_id": "CCD_UNRESOLVED:UNX",
      "compound_id": "CCD_UNRESOLVED:UNX",
      "pdb_id": "4Z02",
      "ligand_instance_id": "PDB:4Z02:LIG:N:UNX:1103:.",
      "protein_id": "UP:O95696",
      "domain_id": "UP:O95696:PWWP1",
      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/4Z02",
      "ccd_url": "https://www.rcsb.org/ligand/UNX",
      "coordinate_sha256": "4845453d35b02dbb549d6634f82d209e4ec7a4b1c71ec02c869eea9e8bf3c2b9",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:4Z02:LIG:O:UNX:1104:.:SITE:UP:O95696:PWWP1:B",
      "chemical_id": "CCD_UNRESOLVED:UNX",
      "compound_id": "CCD_UNRESOLVED:UNX",
      "pdb_id": "4Z02",
      "ligand_instance_id": "PDB:4Z02:LIG:O:UNX:1104:.",
      "protein_id": "UP:O95696",
      "domain_id": "UP:O95696:PWWP1",
      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/4Z02",
      "ccd_url": "https://www.rcsb.org/ligand/UNX",
      "coordinate_sha256": "4845453d35b02dbb549d6634f82d209e4ec7a4b1c71ec02c869eea9e8bf3c2b9",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:4Z02:LIG:L:4K8:1101:.:SITE:UP:O95696:PWWP1:B",
      "chemical_id": "INCHIKEY:KVMMIDQDXZOPAB-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:KVMMIDQDXZOPAB-UHFFFAOYSA-N",
      "pdb_id": "4Z02",
      "ligand_instance_id": "PDB:4Z02:LIG:L:4K8:1101:.",
      "protein_id": "UP:O95696",
      "domain_id": "UP:O95696:PWWP1",
      "source_role": "experimentally deposited ligand",
      "role_code": "deposited_research_ligand",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/4Z02",
      "ccd_url": "https://www.rcsb.org/ligand/4K8",
      "coordinate_sha256": "4845453d35b02dbb549d6634f82d209e4ec7a4b1c71ec02c869eea9e8bf3c2b9",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:4Z02:LIG:M:UNX:1102:.:SITE:UP:O95696:PWWP1:B",
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      "compound_id": "CCD_UNRESOLVED:UNX",
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      "ligand_instance_id": "PDB:4Z02:LIG:M:UNX:1102:.",
      "protein_id": "UP:O95696",
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      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
      "role_group": "context_unresolved",
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      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
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      "source_url": "https://www.rcsb.org/structure/4Z02",
      "ccd_url": "https://www.rcsb.org/ligand/UNX",
      "coordinate_sha256": "4845453d35b02dbb549d6634f82d209e4ec7a4b1c71ec02c869eea9e8bf3c2b9",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:2X4Y:LIG:D:M3L:36:15:SITE:UP:P55201:PWWP1:C",
      "chemical_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O",
      "compound_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O",
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      "ligand_instance_id": "PDB:2X4Y:LIG:D:M3L:36:15",
      "protein_id": "UP:P55201",
      "domain_id": "UP:P55201:PWWP1",
      "source_role": null,
      "role_code": "unclassified_biological_component",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:2X4X:LIG:D:M3L:36:15:SITE:UP:P55201:PWWP1:C",
      "chemical_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O",
      "compound_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O",
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      "ligand_instance_id": "PDB:2X4X:LIG:D:M3L:36:15",
      "protein_id": "UP:P55201",
      "domain_id": "UP:P55201:PWWP1",
      "source_role": null,
      "role_code": "unclassified_biological_component",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/2X4X",
      "ccd_url": "https://www.rcsb.org/ligand/M3L",
      "coordinate_sha256": "f013aab80fdce256f5d371e91a4d19e4d9917989b33e83195440290a400e7097",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:2X4Y:LIG:T:SO4:2205:.:SITE:UP:P55201:PWWP1:C",
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      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
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      "ligand_instance_id": "PDB:2X4Y:LIG:T:SO4:2205:.",
      "protein_id": "UP:P55201",
      "domain_id": "UP:P55201:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/2X4Y",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "d176722770f62d8382f5a0ecad813969c335bbf99bff85449860bfe2d67c59b7",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:2X4Y:LIG:U:SO4:1041:.:SITE:UP:P55201:PWWP1:C",
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      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
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      "ligand_instance_id": "PDB:2X4Y:LIG:U:SO4:1041:.",
      "protein_id": "UP:P55201",
      "domain_id": "UP:P55201:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "broader_Pfam_PWWP_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/2X4Y",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "d176722770f62d8382f5a0ecad813969c335bbf99bff85449860bfe2d67c59b7",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:8Z6C:LIG:J:A1D73:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
      "chemical_id": "INCHIKEY:LKKNQJJSEMQTHQ-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:LKKNQJJSEMQTHQ-UHFFFAOYSA-N",
      "pdb_id": "8Z6C",
      "ligand_instance_id": "PDB:8Z6C:LIG:J:A1D73:101:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally studied ligand",
      "role_code": "reported_studied_structural_ligand",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
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      "ccd_url": "https://www.rcsb.org/ligand/A1D73",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGL:LIG:L:WJ4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
      "chemical_id": "INCHIKEY:PTFMLOCDFPJQDW-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFMLOCDFPJQDW-UHFFFAOYSA-N",
      "pdb_id": "7HGL",
      "ligand_instance_id": "PDB:7HGL:LIG:L:WJ4:102:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7HGL",
      "ccd_url": "https://www.rcsb.org/ligand/WJ4",
      "coordinate_sha256": "91c262b125e9110110e8d2c8f8bdaa49b0ee49c11fefa4532511fee0fd882b2a",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9GRU:LIG:J:PYZ:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
      "chemical_id": "INCHIKEY:LLNQWPTUJJYTTE-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:LLNQWPTUJJYTTE-UHFFFAOYSA-N",
      "pdb_id": "9GRU",
      "ligand_instance_id": "PDB:9GRU:LIG:J:PYZ:101:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally studied ligand",
      "role_code": "reported_studied_structural_ligand",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/9GRU",
      "ccd_url": "https://www.rcsb.org/ligand/PYZ",
      "coordinate_sha256": "481160fdc641812244d0c1df4f35c0e6580c28aaa30fd87bb2a2cd1b980c486c",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9G94:LIG:J:A1D73:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
      "chemical_id": "INCHIKEY:LKKNQJJSEMQTHQ-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:LKKNQJJSEMQTHQ-UHFFFAOYSA-N",
      "pdb_id": "9G94",
      "ligand_instance_id": "PDB:9G94:LIG:J:A1D73:101:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally studied ligand",
      "role_code": "reported_studied_structural_ligand",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/9G94",
      "ccd_url": "https://www.rcsb.org/ligand/A1D73",
      "coordinate_sha256": "77cc947e76da8d5e49e56df359b3db472fe81dbdfabfc36f99d53b3c18200802",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HHI:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "7HHI",
      "ligand_instance_id": "PDB:7HHI:LIG:L:SO4:102:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/7HHI",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "e04aec54f564bf2396912573e1b5eada70aafb996909843e818bb885e0906dfc",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGQ:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "7HGQ",
      "ligand_instance_id": "PDB:7HGQ:LIG:L:SO4:102:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/7HGQ",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "d0b40399ea633fa30c029195678df2fc7f3549e85a2f116247092761b4be7d55",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HH9:LIG:K:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "7HH9",
      "ligand_instance_id": "PDB:7HH9:LIG:K:SO4:101:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/7HH9",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "baa408d905f4dbb19596c6c7614353ad9dfb1948f85ecf3031a405fb62d25c08",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HHM:LIG:K:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "7HHM",
      "ligand_instance_id": "PDB:7HHM:LIG:K:SO4:101:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/7HHM",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "f561b2f7583289757670eaa991f5ffcab2b8cd59a20412ed8e50c47c827b88ac",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HG1:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "7HG1",
      "ligand_instance_id": "PDB:7HG1:LIG:L:SO4:102:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/7HG1",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "ad483fb17e7bf3aac4c44d46fdc115d48105a898a421a45c9ed4b820761f7e04",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGD:LIG:M:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "7HGD",
      "ligand_instance_id": "PDB:7HGD:LIG:M:SO4:102:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/7HGD",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "9f7e40d82eaf44999210f98706ce0972d403570c34f676b63ecb06c306513737",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGV:LIG:L:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "7HGV",
      "ligand_instance_id": "PDB:7HGV:LIG:L:SO4:101:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/7HGV",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "fe1cd4a27d551a8b13bcaa79554d9465554b4cef3df247fcbe05f1598bea4c6f",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGR:LIG:K:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "7HGR",
      "ligand_instance_id": "PDB:7HGR:LIG:K:SO4:101:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/7HGR",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "2ca1b4041b4c96b0e7749cd3d9aad022f01a1573bb2740a2e6a3bfbb904ed97f",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGG:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "7HGG",
      "ligand_instance_id": "PDB:7HGG:LIG:L:SO4:102:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/7HGG",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "5da158f87adcb23832a391a2583061662ea6b868d4f34709b21174a08fbfdc8a",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HH6:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "7HH6",
      "ligand_instance_id": "PDB:7HH6:LIG:L:SO4:102:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/7HH6",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "21d23981d4f83166dad0cb7188c153fa199dc543fe24b73e4d3da63a1b01d9fd",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGK:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "7HGK",
      "ligand_instance_id": "PDB:7HGK:LIG:L:SO4:102:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/7HGK",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "74695119c47105bdac9c76599b7153cce941cd0578c62ce2d96ae448598f5508",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGS:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "7HGS",
      "ligand_instance_id": "PDB:7HGS:LIG:L:SO4:102:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/7HGS",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "9a427bb2d686a3db73f9bd9ed5453a7de93228c477936b0b3267d990cd881913",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HHQ:LIG:L:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "7HHQ",
      "ligand_instance_id": "PDB:7HHQ:LIG:L:SO4:101:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/7HHQ",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "3db40389d998c939de713cf3251ae1ad2a6f34492bfbddb156a460ebc2519b6d",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HH3:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "7HH3",
      "ligand_instance_id": "PDB:7HH3:LIG:L:SO4:102:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/7HH3",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "7ffb4732b6b4b645ba00c198aab7bdaf9256298ac5cff11dde038751a0fd091e",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HG3:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
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    {
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    {
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    {
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    {
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    {
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    {
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    },
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    },
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    },
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    {
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    {
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    {
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    {
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    {
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    {
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    {
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    },
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    },
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    },
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    {
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    {
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    },
    {
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9GRT:LIG:N:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "9GRT",
      "ligand_instance_id": "PDB:9GRT:LIG:N:SO4:104:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/9GRT",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "624187a831cadcf3788247606ed693e3003cfdb7dfd1ac42a6d3fe8df7279158",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HHF:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "7HHF",
      "ligand_instance_id": "PDB:7HHF:LIG:L:SO4:102:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/7HHF",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "713b30775d7e5194ba3487e09e70f0b6b4cc85fe884ea835f44ef6d740f52059",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:3QBY:LIG:I:UNX:98:.:SITE:UP:Q7Z4V5:PWWP1:C",
      "chemical_id": "CCD_UNRESOLVED:UNX",
      "compound_id": "CCD_UNRESOLVED:UNX",
      "pdb_id": "3QBY",
      "ligand_instance_id": "PDB:3QBY:LIG:I:UNX:98:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/3QBY",
      "ccd_url": "https://www.rcsb.org/ligand/UNX",
      "coordinate_sha256": "4f5a434d2509ed7339960ff4604249a6c018761b14e740b671f8a7013873a3b2",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HHL:LIG:L:A1A37:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
      "chemical_id": "INCHIKEY:GOGVDMSQODUATE-JTQLQIEISA-N",
      "compound_id": "INCHIKEY:GOGVDMSQODUATE-JTQLQIEISA-N",
      "pdb_id": "7HHL",
      "ligand_instance_id": "PDB:7HHL:LIG:L:A1A37:102:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7HHL",
      "ccd_url": "https://www.rcsb.org/ligand/A1A37",
      "coordinate_sha256": "5c3ff9208e10407175821d9f94af972279196b43acbb0ca8dc11a8428973b8af",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGT:LIG:L:A1A3R:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
      "chemical_id": "INCHIKEY:WFCPFRCXTJZDAM-RQJHMYQMSA-N",
      "compound_id": "INCHIKEY:WFCPFRCXTJZDAM-RQJHMYQMSA-N",
      "pdb_id": "7HGT",
      "ligand_instance_id": "PDB:7HGT:LIG:L:A1A3R:102:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7HGT",
      "ccd_url": "https://www.rcsb.org/ligand/A1A3R",
      "coordinate_sha256": "a107fb099de003d1d957a6e83547aa44668cf35f9700f55688355b71c138882c",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HH5:LIG:M:WO7:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
      "chemical_id": "INCHIKEY:TWJPZMYNUBAUGA-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:TWJPZMYNUBAUGA-UHFFFAOYSA-N",
      "pdb_id": "7HH5",
      "ligand_instance_id": "PDB:7HH5:LIG:M:WO7:102:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7HH5",
      "ccd_url": "https://www.rcsb.org/ligand/WO7",
      "coordinate_sha256": "058351dbd2e4ce165afbba57190f1b162ed25815113d630b5dc92a743056fbaa",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGI:LIG:L:A1A35:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
      "chemical_id": "INCHIKEY:IQHALCWAYMQEQI-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:IQHALCWAYMQEQI-UHFFFAOYSA-N",
      "pdb_id": "7HGI",
      "ligand_instance_id": "PDB:7HGI:LIG:L:A1A35:102:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7HGI",
      "ccd_url": "https://www.rcsb.org/ligand/A1A35",
      "coordinate_sha256": "7e52897533282687923736f02ecbe64639143ec45a0e3744de05bafaca745edf",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HH9:LIG:L:A1A3W:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
      "chemical_id": "INCHIKEY:LOFCJGPTBIGJGR-SECBINFHSA-N",
      "compound_id": "INCHIKEY:LOFCJGPTBIGJGR-SECBINFHSA-N",
      "pdb_id": "7HH9",
      "ligand_instance_id": "PDB:7HH9:LIG:L:A1A3W:102:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7HH9",
      "ccd_url": "https://www.rcsb.org/ligand/A1A3W",
      "coordinate_sha256": "baa408d905f4dbb19596c6c7614353ad9dfb1948f85ecf3031a405fb62d25c08",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HHC:LIG:L:SYX:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
      "chemical_id": "INCHIKEY:ZSHARPJAQXGCMB-SECBINFHSA-N",
      "compound_id": "INCHIKEY:ZSHARPJAQXGCMB-SECBINFHSA-N",
      "pdb_id": "7HHC",
      "ligand_instance_id": "PDB:7HHC:LIG:L:SYX:102:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7HHC",
      "ccd_url": "https://www.rcsb.org/ligand/SYX",
      "coordinate_sha256": "b8dd170d60733a8c746dc7e56c1a6792c4a9ada53d9b27b68d105a42452bc8a6",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9S81:LIG:F:CXS:101:.:SITE:UP:O75475:PWWP1:C",
      "chemical_id": "INCHIKEY:PJWWRFATQTVXHA-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PJWWRFATQTVXHA-UHFFFAOYSA-N",
      "pdb_id": "9S81",
      "ligand_instance_id": "PDB:9S81:LIG:F:CXS:101:.",
      "protein_id": "UP:O75475",
      "domain_id": "UP:O75475:PWWP1",
      "source_role": "buffer/additive",
      "role_code": "buffer_component",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/9S81",
      "ccd_url": "https://www.rcsb.org/ligand/CXS",
      "coordinate_sha256": "dc382a953062d48af9aa860717e40f01a0b8060afeb80d589608f1424e1807c3",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HHM:LIG:L:UWD:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
      "chemical_id": "INCHIKEY:UQXCTICEXNDHAR-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:UQXCTICEXNDHAR-UHFFFAOYSA-N",
      "pdb_id": "7HHM",
      "ligand_instance_id": "PDB:7HHM:LIG:L:UWD:102:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7HHM",
      "ccd_url": "https://www.rcsb.org/ligand/UWD",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGN:LIG:L:NX7:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
      "chemical_id": "INCHIKEY:WKDBMZQECSVNDS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:WKDBMZQECSVNDS-UHFFFAOYSA-N",
      "pdb_id": "7HGN",
      "ligand_instance_id": "PDB:7HGN:LIG:L:NX7:102:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7HGN",
      "ccd_url": "https://www.rcsb.org/ligand/NX7",
      "coordinate_sha256": "2da307ee97ed5c40ecd8ca9636369957e2401f0b9465e1fed9bcfe53fb9bcb82",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGJ:LIG:L:ZUG:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
      "chemical_id": "INCHIKEY:HGZULNNLLFYOFI-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:HGZULNNLLFYOFI-UHFFFAOYSA-N",
      "pdb_id": "7HGJ",
      "ligand_instance_id": "PDB:7HGJ:LIG:L:ZUG:102:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7HGJ",
      "ccd_url": "https://www.rcsb.org/ligand/ZUG",
      "coordinate_sha256": "b0955f46aa3a75502e5da21fcd98f34e50c1432424531711de3641f9c9bc0cbe",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HG9:LIG:L:A1A3Q:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
      "chemical_id": "INCHIKEY:VMFJFKMORNSDKQ-ZETCQYMHSA-N",
      "compound_id": "INCHIKEY:VMFJFKMORNSDKQ-ZETCQYMHSA-N",
      "pdb_id": "7HG9",
      "ligand_instance_id": "PDB:7HG9:LIG:L:A1A3Q:102:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7HG9",
      "ccd_url": "https://www.rcsb.org/ligand/A1A3Q",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HHE:LIG:M:A1A38:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
      "chemical_id": "INCHIKEY:DIBVGDONZMMHTK-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:DIBVGDONZMMHTK-UHFFFAOYSA-N",
      "pdb_id": "7HHE",
      "ligand_instance_id": "PDB:7HHE:LIG:M:A1A38:102:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7HHE",
      "ccd_url": "https://www.rcsb.org/ligand/A1A38",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HHA:LIG:M:TE0:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
      "chemical_id": "INCHIKEY:FXILSJTWIHHRJV-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:FXILSJTWIHHRJV-UHFFFAOYSA-N",
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      "ligand_instance_id": "PDB:7HHA:LIG:M:TE0:102:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7HHA",
      "ccd_url": "https://www.rcsb.org/ligand/TE0",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HH4:LIG:M:W0J:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
      "chemical_id": "INCHIKEY:QLSDWIHANVSIEK-SECBINFHSA-N",
      "compound_id": "INCHIKEY:QLSDWIHANVSIEK-SECBINFHSA-N",
      "pdb_id": "7HH4",
      "ligand_instance_id": "PDB:7HH4:LIG:M:W0J:102:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7HH4",
      "ccd_url": "https://www.rcsb.org/ligand/W0J",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGR:LIG:L:A1AM6:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
      "chemical_id": "INCHIKEY:JMSBGUKOMZSBMF-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:JMSBGUKOMZSBMF-UHFFFAOYSA-N",
      "pdb_id": "7HGR",
      "ligand_instance_id": "PDB:7HGR:LIG:L:A1AM6:102:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7HGR",
      "ccd_url": "https://www.rcsb.org/ligand/A1AM6",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9I7C:LIG:J:DMS:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
      "chemical_id": "INCHIKEY:IAZDPXIOMUYVGZ-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:IAZDPXIOMUYVGZ-UHFFFAOYSA-N",
      "pdb_id": "9I7C",
      "ligand_instance_id": "PDB:9I7C:LIG:J:DMS:101:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "solvent",
      "role_code": "solvent",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/9I7C",
      "ccd_url": "https://www.rcsb.org/ligand/DMS",
      "coordinate_sha256": "babfb2ebe98bc9ec324f6855694a3dcead238b2e3a72cfbda5b8d0506014bd1f",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGV:LIG:M:A1A33:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
      "chemical_id": "INCHIKEY:LZXLHLSTUPFULX-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:LZXLHLSTUPFULX-UHFFFAOYSA-N",
      "pdb_id": "7HGV",
      "ligand_instance_id": "PDB:7HGV:LIG:M:A1A33:102:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7HGV",
      "ccd_url": "https://www.rcsb.org/ligand/A1A33",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HG5:LIG:L:WV4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
      "chemical_id": "INCHIKEY:UTXGKZQFKXUXRX-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:UTXGKZQFKXUXRX-UHFFFAOYSA-N",
      "pdb_id": "7HG5",
      "ligand_instance_id": "PDB:7HG5:LIG:L:WV4:102:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7HG5",
      "ccd_url": "https://www.rcsb.org/ligand/WV4",
      "coordinate_sha256": "bb39c9642cd82a37470ada6d1e0e4f59b40afbd6a922dd21af704e098ff88f1f",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGX:LIG:L:A1A31:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
      "chemical_id": "INCHIKEY:VUFBCWUJICCKDU-ZCFIWIBFSA-N",
      "compound_id": "INCHIKEY:VUFBCWUJICCKDU-ZCFIWIBFSA-N",
      "pdb_id": "7HGX",
      "ligand_instance_id": "PDB:7HGX:LIG:L:A1A31:102:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7HGX",
      "ccd_url": "https://www.rcsb.org/ligand/A1A31",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:3QBY:LIG:Z:UNX:96:.:SITE:UP:Q7Z4V5:PWWP1:C",
      "chemical_id": "CCD_UNRESOLVED:UNX",
      "compound_id": "CCD_UNRESOLVED:UNX",
      "pdb_id": "3QBY",
      "ligand_instance_id": "PDB:3QBY:LIG:Z:UNX:96:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/3QBY",
      "ccd_url": "https://www.rcsb.org/ligand/UNX",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9GRV:LIG:J:DMS:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
      "chemical_id": "INCHIKEY:IAZDPXIOMUYVGZ-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:IAZDPXIOMUYVGZ-UHFFFAOYSA-N",
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      "ligand_instance_id": "PDB:9GRV:LIG:J:DMS:101:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "solvent",
      "role_code": "solvent",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/9GRV",
      "ccd_url": "https://www.rcsb.org/ligand/DMS",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HHB:LIG:L:A1A3U:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
      "chemical_id": "INCHIKEY:XJCXOPUZWYXCES-QMMMGPOBSA-N",
      "compound_id": "INCHIKEY:XJCXOPUZWYXCES-QMMMGPOBSA-N",
      "pdb_id": "7HHB",
      "ligand_instance_id": "PDB:7HHB:LIG:L:A1A3U:102:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
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      "ccd_url": "https://www.rcsb.org/ligand/A1A3U",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HHQ:LIG:M:A1A3Y:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
      "chemical_id": "INCHIKEY:ZSHAGSDVWLLMSY-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:ZSHAGSDVWLLMSY-UHFFFAOYSA-N",
      "pdb_id": "7HHQ",
      "ligand_instance_id": "PDB:7HHQ:LIG:M:A1A3Y:102:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally deposited fragment",
      "role_code": "screened_fragment_structure",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7HHQ",
      "ccd_url": "https://www.rcsb.org/ligand/A1A3Y",
      "coordinate_sha256": "3db40389d998c939de713cf3251ae1ad2a6f34492bfbddb156a460ebc2519b6d",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGY:LIG:K:EDO:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
      "chemical_id": "INCHIKEY:LYCAIKOWRPUZTN-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:LYCAIKOWRPUZTN-UHFFFAOYSA-N",
      "pdb_id": "7HGY",
      "ligand_instance_id": "PDB:7HGY:LIG:K:EDO:101:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "cryoprotectant/additive",
      "role_code": "cryoprotectant",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/7HGY",
      "ccd_url": "https://www.rcsb.org/ligand/EDO",
      "coordinate_sha256": "4f22c6399b6aef7275aadbd7ee34711a4b5f37e5385d18ace1a3bff390a1b6cc",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HG7:LIG:K:EDO:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
      "chemical_id": "INCHIKEY:LYCAIKOWRPUZTN-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:LYCAIKOWRPUZTN-UHFFFAOYSA-N",
      "pdb_id": "7HG7",
      "ligand_instance_id": "PDB:7HG7:LIG:K:EDO:101:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "cryoprotectant/additive",
      "role_code": "cryoprotectant",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/7HG7",
      "ccd_url": "https://www.rcsb.org/ligand/EDO",
      "coordinate_sha256": "b95d120ce3e13083a197df2483df9161623e36fa25aa70206f3ac7f383cf4f7a",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HH8:LIG:L:EDO:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
      "chemical_id": "INCHIKEY:LYCAIKOWRPUZTN-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:LYCAIKOWRPUZTN-UHFFFAOYSA-N",
      "pdb_id": "7HH8",
      "ligand_instance_id": "PDB:7HH8:LIG:L:EDO:101:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "cryoprotectant/additive",
      "role_code": "cryoprotectant",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/7HH8",
      "ccd_url": "https://www.rcsb.org/ligand/EDO",
      "coordinate_sha256": "3251ddf4154454b01892cc2df8128bc5179388b4d51210a6201d2324a8037aa3",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HH7:LIG:K:EDO:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
      "chemical_id": "INCHIKEY:LYCAIKOWRPUZTN-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:LYCAIKOWRPUZTN-UHFFFAOYSA-N",
      "pdb_id": "7HH7",
      "ligand_instance_id": "PDB:7HH7:LIG:K:EDO:101:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "cryoprotectant/additive",
      "role_code": "cryoprotectant",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
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      "ccd_url": "https://www.rcsb.org/ligand/EDO",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGD:LIG:L:EDO:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
      "chemical_id": "INCHIKEY:LYCAIKOWRPUZTN-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:LYCAIKOWRPUZTN-UHFFFAOYSA-N",
      "pdb_id": "7HGD",
      "ligand_instance_id": "PDB:7HGD:LIG:L:EDO:101:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "cryoprotectant/additive",
      "role_code": "cryoprotectant",
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      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/7HGD",
      "ccd_url": "https://www.rcsb.org/ligand/EDO",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HG2:LIG:L:EDO:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
      "chemical_id": "INCHIKEY:LYCAIKOWRPUZTN-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:LYCAIKOWRPUZTN-UHFFFAOYSA-N",
      "pdb_id": "7HG2",
      "ligand_instance_id": "PDB:7HG2:LIG:L:EDO:101:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "cryoprotectant/additive",
      "role_code": "cryoprotectant",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/7HG2",
      "ccd_url": "https://www.rcsb.org/ligand/EDO",
      "coordinate_sha256": "e97ff28ea286827500e032d266eb70f9db7e1cf1610f12236e8936d6799c293d",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGU:LIG:K:EDO:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
      "chemical_id": "INCHIKEY:LYCAIKOWRPUZTN-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:LYCAIKOWRPUZTN-UHFFFAOYSA-N",
      "pdb_id": "7HGU",
      "ligand_instance_id": "PDB:7HGU:LIG:K:EDO:101:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "cryoprotectant/additive",
      "role_code": "cryoprotectant",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/7HGU",
      "ccd_url": "https://www.rcsb.org/ligand/EDO",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HG8:LIG:K:EDO:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
      "chemical_id": "INCHIKEY:LYCAIKOWRPUZTN-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:LYCAIKOWRPUZTN-UHFFFAOYSA-N",
      "pdb_id": "7HG8",
      "ligand_instance_id": "PDB:7HG8:LIG:K:EDO:101:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "cryoprotectant/additive",
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      "role_group": "other_component",
      "exact_pwwp_contact": true,
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      "structural_research_ligand": false,
      "observed_other_component": true,
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      "ccd_url": "https://www.rcsb.org/ligand/EDO",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "chemical_id": "INCHIKEY:LYCAIKOWRPUZTN-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:LYCAIKOWRPUZTN-UHFFFAOYSA-N",
      "pdb_id": "7HHN",
      "ligand_instance_id": "PDB:7HHN:LIG:K:EDO:101:.",
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "ligand_instance_id": "PDB:7HHJ:LIG:K:EDO:101:.",
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "ligand_instance_id": "PDB:7HGE:LIG:K:EDO:101:.",
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGK:LIG:K:EDO:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
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      "compound_id": "INCHIKEY:LYCAIKOWRPUZTN-UHFFFAOYSA-N",
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      "ligand_instance_id": "PDB:7HGK:LIG:K:EDO:101:.",
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HG1:LIG:K:EDO:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HHP:LIG:K:EDO:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
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      "ligand_instance_id": "PDB:7HHP:LIG:K:EDO:101:.",
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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    },
    {
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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    },
    {
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    },
    {
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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    {
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      "chemical_id": "INCHIKEY:LYCAIKOWRPUZTN-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:LYCAIKOWRPUZTN-UHFFFAOYSA-N",
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      "ligand_instance_id": "PDB:7HGB:LIG:K:EDO:101:.",
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    },
    {
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    },
    {
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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    },
    {
      "site_id": "PDB:7HGQ:LIG:K:EDO:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HHG:LIG:K:EDO:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
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    },
    {
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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    },
    {
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
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    {
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      "chemical_id": "INCHIKEY:LYCAIKOWRPUZTN-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:LYCAIKOWRPUZTN-UHFFFAOYSA-N",
      "pdb_id": "7HG3",
      "ligand_instance_id": "PDB:7HG3:LIG:K:EDO:101:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "cryoprotectant/additive",
      "role_code": "cryoprotectant",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/7HG3",
      "ccd_url": "https://www.rcsb.org/ligand/EDO",
      "coordinate_sha256": "6fb01f1cd1cc044a843d5160722d99170c3564d03ed377b699c0fd96a9562ed2",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HHI:LIG:K:EDO:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
      "chemical_id": "INCHIKEY:LYCAIKOWRPUZTN-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:LYCAIKOWRPUZTN-UHFFFAOYSA-N",
      "pdb_id": "7HHI",
      "ligand_instance_id": "PDB:7HHI:LIG:K:EDO:101:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "cryoprotectant/additive",
      "role_code": "cryoprotectant",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/7HHI",
      "ccd_url": "https://www.rcsb.org/ligand/EDO",
      "coordinate_sha256": "e04aec54f564bf2396912573e1b5eada70aafb996909843e818bb885e0906dfc",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9I7J:LIG:F:DMS:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
      "chemical_id": "INCHIKEY:IAZDPXIOMUYVGZ-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:IAZDPXIOMUYVGZ-UHFFFAOYSA-N",
      "pdb_id": "9I7J",
      "ligand_instance_id": "PDB:9I7J:LIG:F:DMS:101:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "solvent",
      "role_code": "solvent",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/9I7J",
      "ccd_url": "https://www.rcsb.org/ligand/DMS",
      "coordinate_sha256": "7a496ab9fa13504ba4ecef95fdb2ade078b3f47deb54f885b80948bad9aeba0c",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGG:LIG:K:EDO:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
      "chemical_id": "INCHIKEY:LYCAIKOWRPUZTN-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:LYCAIKOWRPUZTN-UHFFFAOYSA-N",
      "pdb_id": "7HGG",
      "ligand_instance_id": "PDB:7HGG:LIG:K:EDO:101:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "cryoprotectant/additive",
      "role_code": "cryoprotectant",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/7HGG",
      "ccd_url": "https://www.rcsb.org/ligand/EDO",
      "coordinate_sha256": "5da158f87adcb23832a391a2583061662ea6b868d4f34709b21174a08fbfdc8a",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9GRS:LIG:K:DMS:601:.:SITE:UP:Q7Z4V5:PWWP1:C",
      "chemical_id": "INCHIKEY:IAZDPXIOMUYVGZ-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:IAZDPXIOMUYVGZ-UHFFFAOYSA-N",
      "pdb_id": "9GRS",
      "ligand_instance_id": "PDB:9GRS:LIG:K:DMS:601:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "solvent",
      "role_code": "solvent",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/9GRS",
      "ccd_url": "https://www.rcsb.org/ligand/DMS",
      "coordinate_sha256": "ea6962be06f3f0d1f1eafd6f9dc63f52f2ac283158251f34bbd80282a812975c",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9GRT:LIG:K:BYZ:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
      "chemical_id": "INCHIKEY:WVGCPEDBFHEHEZ-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:WVGCPEDBFHEHEZ-UHFFFAOYSA-N",
      "pdb_id": "9GRT",
      "ligand_instance_id": "PDB:9GRT:LIG:K:BYZ:101:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally studied ligand",
      "role_code": "reported_studied_structural_ligand",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/9GRT",
      "ccd_url": "https://www.rcsb.org/ligand/BYZ",
      "coordinate_sha256": "624187a831cadcf3788247606ed693e3003cfdb7dfd1ac42a6d3fe8df7279158",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:6IIQ:LIG:L:MLA:101:.:SITE:UP:Q9Y3E1:PWWP1:C",
      "chemical_id": "INCHIKEY:OFOBLEOULBTSOW-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:OFOBLEOULBTSOW-UHFFFAOYSA-N",
      "pdb_id": "6IIQ",
      "ligand_instance_id": "PDB:6IIQ:LIG:L:MLA:101:.",
      "protein_id": "UP:Q9Y3E1",
      "domain_id": "UP:Q9Y3E1:PWWP1",
      "source_role": "buffer/additive",
      "role_code": "buffer_component",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/6IIQ",
      "ccd_url": "https://www.rcsb.org/ligand/MLA",
      "coordinate_sha256": "eb0a6ebdd81c2989484b2307da3a4577e656a20edfafcc60f681a5ac34684b29",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:8Z6C:LIG:D:A1D73:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
      "chemical_id": "INCHIKEY:LKKNQJJSEMQTHQ-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:LKKNQJJSEMQTHQ-UHFFFAOYSA-N",
      "pdb_id": "8Z6C",
      "ligand_instance_id": "PDB:8Z6C:LIG:D:A1D73:101:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "experimentally studied ligand",
      "role_code": "reported_studied_structural_ligand",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/8Z6C",
      "ccd_url": "https://www.rcsb.org/ligand/A1D73",
      "coordinate_sha256": "a52b0ce0d915a4ec6357f5dce14e0dbbacdb5fa856c24981a9187cf4168156c2",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:3QBY:LIG:X:UNX:94:.:SITE:UP:Q7Z4V5:PWWP1:C",
      "chemical_id": "CCD_UNRESOLVED:UNX",
      "compound_id": "CCD_UNRESOLVED:UNX",
      "pdb_id": "3QBY",
      "ligand_instance_id": "PDB:3QBY:LIG:X:UNX:94:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/3QBY",
      "ccd_url": "https://www.rcsb.org/ligand/UNX",
      "coordinate_sha256": "4f5a434d2509ed7339960ff4604249a6c018761b14e740b671f8a7013873a3b2",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9GRT:LIG:M:SO4:103:.:SITE:UP:Q7Z4V5:PWWP1:C",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "9GRT",
      "ligand_instance_id": "PDB:9GRT:LIG:M:SO4:103:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/9GRT",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "624187a831cadcf3788247606ed693e3003cfdb7dfd1ac42a6d3fe8df7279158",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9GRS:LIG:L:SO4:602:.:SITE:UP:Q7Z4V5:PWWP1:C",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "9GRS",
      "ligand_instance_id": "PDB:9GRS:LIG:L:SO4:602:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/9GRS",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "ea6962be06f3f0d1f1eafd6f9dc63f52f2ac283158251f34bbd80282a812975c",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:3QBY:LIG:Y:UNX:95:.:SITE:UP:Q7Z4V5:PWWP1:C",
      "chemical_id": "CCD_UNRESOLVED:UNX",
      "compound_id": "CCD_UNRESOLVED:UNX",
      "pdb_id": "3QBY",
      "ligand_instance_id": "PDB:3QBY:LIG:Y:UNX:95:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/3QBY",
      "ccd_url": "https://www.rcsb.org/ligand/UNX",
      "coordinate_sha256": "4f5a434d2509ed7339960ff4604249a6c018761b14e740b671f8a7013873a3b2",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:6UE6:LIG:JA:UNX:2006:.:SITE:UP:O96028:PWWP1:C",
      "chemical_id": "CCD_UNRESOLVED:UNX",
      "compound_id": "CCD_UNRESOLVED:UNX",
      "pdb_id": "6UE6",
      "ligand_instance_id": "PDB:6UE6:LIG:JA:UNX:2006:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/6UE6",
      "ccd_url": "https://www.rcsb.org/ligand/UNX",
      "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7MDN:LIG:L:Y6V:401:.:SITE:UP:O96028:PWWP1:C",
      "chemical_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
      "pdb_id": "7MDN",
      "ligand_instance_id": "PDB:7MDN:LIG:L:Y6V:401:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "experimentally studied ligand",
      "role_code": "reported_studied_structural_ligand",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7MDN",
      "ccd_url": "https://www.rcsb.org/ligand/Y6V",
      "coordinate_sha256": "411eea421108aa7f0e46d8c191904297040016aeabc0f48ef43d4a7503888c2a",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7LMT:LIG:L:Y6V:401:.:SITE:UP:O96028:PWWP1:C",
      "chemical_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
      "pdb_id": "7LMT",
      "ligand_instance_id": "PDB:7LMT:LIG:L:Y6V:401:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "experimentally studied ligand",
      "role_code": "reported_studied_structural_ligand",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7LMT",
      "ccd_url": "https://www.rcsb.org/ligand/Y6V",
      "coordinate_sha256": "fb452dcc9ac176dd436a568f45cd7c3bec865b2422bfae1f7d54a214d9cff6c0",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:6XCG:LIG:I:V01:401:.:SITE:UP:O96028:PWWP1:C",
      "chemical_id": "INCHIKEY:KOZGEDUWAQFVAV-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:KOZGEDUWAQFVAV-UHFFFAOYSA-N",
      "pdb_id": "6XCG",
      "ligand_instance_id": "PDB:6XCG:LIG:I:V01:401:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "experimentally studied ligand",
      "role_code": "reported_studied_structural_ligand",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/6XCG",
      "ccd_url": "https://www.rcsb.org/ligand/V01",
      "coordinate_sha256": "2c370701c9b83de7ae6137f91d2130519a48c261a93ec5bc480dfcc3bc982200",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:6UE6:LIG:EA:Q5D:2001:.:SITE:UP:O96028:PWWP1:C",
      "chemical_id": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N",
      "pdb_id": "6UE6",
      "ligand_instance_id": "PDB:6UE6:LIG:EA:Q5D:2001:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "experimentally studied ligand",
      "role_code": "reported_studied_structural_ligand",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/6UE6",
      "ccd_url": "https://www.rcsb.org/ligand/Q5D",
      "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:3QKJ:LIG:K:BTB:356:.:SITE:UP:Q9UBC3:PWWP1:C",
      "chemical_id": "INCHIKEY:OWMVSZAMULFTJU-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:OWMVSZAMULFTJU-UHFFFAOYSA-N",
      "pdb_id": "3QKJ",
      "ligand_instance_id": "PDB:3QKJ:LIG:K:BTB:356:.",
      "protein_id": "UP:Q9UBC3",
      "domain_id": "UP:Q9UBC3:PWWP1",
      "source_role": "buffer/additive",
      "role_code": "buffer_component",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/3QKJ",
      "ccd_url": "https://www.rcsb.org/ligand/BTB",
      "coordinate_sha256": "e94a2082f64ba107b7c13187a1af6dc528db6e5340be742ad57500d752199174",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:6XCG:LIG:J:UNX:402:.:SITE:UP:O96028:PWWP1:C",
      "chemical_id": "CCD_UNRESOLVED:UNX",
      "compound_id": "CCD_UNRESOLVED:UNX",
      "pdb_id": "6XCG",
      "ligand_instance_id": "PDB:6XCG:LIG:J:UNX:402:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/6XCG",
      "ccd_url": "https://www.rcsb.org/ligand/UNX",
      "coordinate_sha256": "2c370701c9b83de7ae6137f91d2130519a48c261a93ec5bc480dfcc3bc982200",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:6UE6:LIG:IA:UNX:2005:.:SITE:UP:O96028:PWWP1:C",
      "chemical_id": "CCD_UNRESOLVED:UNX",
      "compound_id": "CCD_UNRESOLVED:UNX",
      "pdb_id": "6UE6",
      "ligand_instance_id": "PDB:6UE6:LIG:IA:UNX:2005:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/6UE6",
      "ccd_url": "https://www.rcsb.org/ligand/UNX",
      "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:6UE6:LIG:GA:UNX:2003:.:SITE:UP:O96028:PWWP1:C",
      "chemical_id": "CCD_UNRESOLVED:UNX",
      "compound_id": "CCD_UNRESOLVED:UNX",
      "pdb_id": "6UE6",
      "ligand_instance_id": "PDB:6UE6:LIG:GA:UNX:2003:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/6UE6",
      "ccd_url": "https://www.rcsb.org/ligand/UNX",
      "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:6UE6:LIG:LA:UNX:2002:.:SITE:UP:O96028:PWWP1:C",
      "chemical_id": "CCD_UNRESOLVED:UNX",
      "compound_id": "CCD_UNRESOLVED:UNX",
      "pdb_id": "6UE6",
      "ligand_instance_id": "PDB:6UE6:LIG:LA:UNX:2002:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/6UE6",
      "ccd_url": "https://www.rcsb.org/ligand/UNX",
      "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7MDN:LIG:K:Y6V:401:.:SITE:UP:O96028:PWWP1:C",
      "chemical_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
      "pdb_id": "7MDN",
      "ligand_instance_id": "PDB:7MDN:LIG:K:Y6V:401:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "experimentally studied ligand",
      "role_code": "reported_studied_structural_ligand",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7MDN",
      "ccd_url": "https://www.rcsb.org/ligand/Y6V",
      "coordinate_sha256": "411eea421108aa7f0e46d8c191904297040016aeabc0f48ef43d4a7503888c2a",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7LMT:LIG:K:Y6V:401:.:SITE:UP:O96028:PWWP1:C",
      "chemical_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
      "pdb_id": "7LMT",
      "ligand_instance_id": "PDB:7LMT:LIG:K:Y6V:401:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "experimentally studied ligand",
      "role_code": "reported_studied_structural_ligand",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7LMT",
      "ccd_url": "https://www.rcsb.org/ligand/Y6V",
      "coordinate_sha256": "fb452dcc9ac176dd436a568f45cd7c3bec865b2422bfae1f7d54a214d9cff6c0",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:6UE6:LIG:Y:UNX:2007:.:SITE:UP:O96028:PWWP1:C",
      "chemical_id": "CCD_UNRESOLVED:UNX",
      "compound_id": "CCD_UNRESOLVED:UNX",
      "pdb_id": "6UE6",
      "ligand_instance_id": "PDB:6UE6:LIG:Y:UNX:2007:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/6UE6",
      "ccd_url": "https://www.rcsb.org/ligand/UNX",
      "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:6UE6:LIG:S:Q5D:2001:.:SITE:UP:O96028:PWWP1:C",
      "chemical_id": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N",
      "pdb_id": "6UE6",
      "ligand_instance_id": "PDB:6UE6:LIG:S:Q5D:2001:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "experimentally studied ligand",
      "role_code": "reported_studied_structural_ligand",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/6UE6",
      "ccd_url": "https://www.rcsb.org/ligand/Q5D",
      "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:3LLR:LIG:I:BTB:154:.:SITE:UP:Q9Y6K1:PWWP1:C",
      "chemical_id": "INCHIKEY:OWMVSZAMULFTJU-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:OWMVSZAMULFTJU-UHFFFAOYSA-N",
      "pdb_id": "3LLR",
      "ligand_instance_id": "PDB:3LLR:LIG:I:BTB:154:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "buffer/additive",
      "role_code": "buffer_component",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/3LLR",
      "ccd_url": "https://www.rcsb.org/ligand/BTB",
      "coordinate_sha256": "a8254ced10f69b3b39f750fa8cd9287339657ffd15b2b87702acc775b16fc7ed",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:6UE6:LIG:HA:UNX:2004:.:SITE:UP:O96028:PWWP1:C",
      "chemical_id": "CCD_UNRESOLVED:UNX",
      "compound_id": "CCD_UNRESOLVED:UNX",
      "pdb_id": "6UE6",
      "ligand_instance_id": "PDB:6UE6:LIG:HA:UNX:2004:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/6UE6",
      "ccd_url": "https://www.rcsb.org/ligand/UNX",
      "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:6XCG:LIG:L:UNX:404:.:SITE:UP:O96028:PWWP1:C",
      "chemical_id": "CCD_UNRESOLVED:UNX",
      "compound_id": "CCD_UNRESOLVED:UNX",
      "pdb_id": "6XCG",
      "ligand_instance_id": "PDB:6XCG:LIG:L:UNX:404:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/6XCG",
      "ccd_url": "https://www.rcsb.org/ligand/UNX",
      "coordinate_sha256": "2c370701c9b83de7ae6137f91d2130519a48c261a93ec5bc480dfcc3bc982200",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:6UE6:LIG:MA:UNX:2003:.:SITE:UP:O96028:PWWP1:C",
      "chemical_id": "CCD_UNRESOLVED:UNX",
      "compound_id": "CCD_UNRESOLVED:UNX",
      "pdb_id": "6UE6",
      "ligand_instance_id": "PDB:6UE6:LIG:MA:UNX:2003:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/6UE6",
      "ccd_url": "https://www.rcsb.org/ligand/UNX",
      "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:6UE6:LIG:FA:UNX:2002:.:SITE:UP:O96028:PWWP1:C",
      "chemical_id": "CCD_UNRESOLVED:UNX",
      "compound_id": "CCD_UNRESOLVED:UNX",
      "pdb_id": "6UE6",
      "ligand_instance_id": "PDB:6UE6:LIG:FA:UNX:2002:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/6UE6",
      "ccd_url": "https://www.rcsb.org/ligand/UNX",
      "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5Y1Z:LIG:G:ZN:502:.:SITE:UP:Q9ULU4:PWWP1:C",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "5Y1Z",
      "ligand_instance_id": "PDB:5Y1Z:LIG:G:ZN:502:.",
      "protein_id": "UP:Q9ULU4",
      "domain_id": "UP:Q9ULU4:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/5Y1Z",
      "ccd_url": "https://www.rcsb.org/ligand/ZN",
      "coordinate_sha256": "be13d6b91869c9f53cf8d4f56feeafd44b575e91a966831894aab4ceffbf73a3",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5Y1Z:LIG:K:SO4:506:.:SITE:UP:Q9ULU4:PWWP1:C",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "5Y1Z",
      "ligand_instance_id": "PDB:5Y1Z:LIG:K:SO4:506:.",
      "protein_id": "UP:Q9ULU4",
      "domain_id": "UP:Q9ULU4:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/5Y1Z",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "be13d6b91869c9f53cf8d4f56feeafd44b575e91a966831894aab4ceffbf73a3",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:6XCG:LIG:H:UNX:404:.:SITE:UP:O96028:PWWP1:C",
      "chemical_id": "CCD_UNRESOLVED:UNX",
      "compound_id": "CCD_UNRESOLVED:UNX",
      "pdb_id": "6XCG",
      "ligand_instance_id": "PDB:6XCG:LIG:H:UNX:404:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "broader_Pfam_PWWP_contact",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/6XCG",
      "ccd_url": "https://www.rcsb.org/ligand/UNX",
      "coordinate_sha256": "2c370701c9b83de7ae6137f91d2130519a48c261a93ec5bc480dfcc3bc982200",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:6G3T:LIG:G:EPE:401:.:SITE:UP:Q9BZ95:PWWP1:C",
      "chemical_id": "INCHIKEY:JKMHFZQWWAIEOD-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:JKMHFZQWWAIEOD-UHFFFAOYSA-N",
      "pdb_id": "6G3T",
      "ligand_instance_id": "PDB:6G3T:LIG:G:EPE:401:.",
      "protein_id": "UP:Q9BZ95",
      "domain_id": "UP:Q9BZ95:PWWP1",
      "source_role": "buffer/additive",
      "role_code": "buffer_component",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/6G3T",
      "ccd_url": "https://www.rcsb.org/ligand/EPE",
      "coordinate_sha256": "bcb9eefd74501eef94395c8084b387e431f9bd9bff20e41b2999992d42af23c5",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:6XCG:LIG:K:UNX:403:.:SITE:UP:O96028:PWWP1:C",
      "chemical_id": "CCD_UNRESOLVED:UNX",
      "compound_id": "CCD_UNRESOLVED:UNX",
      "pdb_id": "6XCG",
      "ligand_instance_id": "PDB:6XCG:LIG:K:UNX:403:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
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      "contact_class": "broader_Pfam_PWWP_contact",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:6UE6:LIG:AA:UNX:2009:.:SITE:UP:O96028:PWWP1:C",
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      "pdb_id": "6UE6",
      "ligand_instance_id": "PDB:6UE6:LIG:AA:UNX:2009:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
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      "source_url": "https://www.rcsb.org/structure/6UE6",
      "ccd_url": "https://www.rcsb.org/ligand/UNX",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:6UE6:LIG:X:UNX:2006:.:SITE:UP:O96028:PWWP1:C",
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      "ligand_instance_id": "PDB:6UE6:LIG:X:UNX:2006:.",
      "protein_id": "UP:O96028",
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      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
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      "source_url": "https://www.rcsb.org/structure/6UE6",
      "ccd_url": "https://www.rcsb.org/ligand/UNX",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5Y1Z:LIG:I:SO4:504:.:SITE:UP:Q9ULU4:PWWP1:C",
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      "pdb_id": "5Y1Z",
      "ligand_instance_id": "PDB:5Y1Z:LIG:I:SO4:504:.",
      "protein_id": "UP:Q9ULU4",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:8Z6C:LIG:H:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
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      "source_role": "ion/additive",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9GRU:LIG:K:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
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      "ligand_instance_id": "PDB:9GRU:LIG:K:SO4:102:.",
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      "source_role": "ion/additive",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
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    },
    {
      "site_id": "PDB:9GRT:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
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      "source_role": "ion/additive",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
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    },
    {
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      "source_role": "ion/additive",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
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    },
    {
      "site_id": "PDB:3PMI:LIG:H:UNL:20:.:SITE:UP:Q2TAK8:PWWP1:C",
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      "source_role": "unknown chemical component",
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      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "ligand_instance_id": "PDB:3QBY:LIG:S:SO4:95:.",
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      "source_role": "ion/additive",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:6IIQ:LIG:M:TRS:102:.:SITE:UP:Q9Y3E1:PWWP1:C",
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      "ligand_instance_id": "PDB:6IIQ:LIG:M:TRS:102:.",
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      "domain_id": "UP:Q9Y3E1:PWWP1",
      "source_role": "buffer/additive",
      "role_code": "buffer_component",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:8Z6C:LIG:K:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HHI:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
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      "source_role": "ion/additive",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HHQ:LIG:H:SO4:105:.:SITE:UP:Q7Z4V5:PWWP1:C",
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      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
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    },
    {
      "site_id": "PDB:7HGD:LIG:H:SO4:105:.:SITE:UP:Q7Z4V5:PWWP1:C",
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "ligand_instance_id": "PDB:7HHA:LIG:H:SO4:105:.",
      "protein_id": "UP:Q7Z4V5",
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    },
    {
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    },
    {
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      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "ligand_instance_id": "PDB:7HGE:LIG:G:SO4:104:.",
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HHC:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
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      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
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    },
    {
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      "protein_id": "UP:Q7Z4V5",
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      "source_role": "ion/additive",
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HHM:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
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      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGZ:LIG:H:SO4:105:.:SITE:UP:Q7Z4V5:PWWP1:C",
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    },
    {
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    },
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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    },
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    },
    {
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    },
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    },
    {
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HG0:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "verification_status": "phase5_derived_deposited_geometry",
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HHO:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HH6:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
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      "ligand_instance_id": "PDB:7HH6:LIG:G:SO4:104:.",
      "protein_id": "UP:Q7Z4V5",
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      "verification_status": "phase5_derived_deposited_geometry",
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HH9:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
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      "protein_id": "UP:Q7Z4V5",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HH5:LIG:H:SO4:105:.:SITE:UP:Q7Z4V5:PWWP1:C",
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      "ligand_instance_id": "PDB:7HH5:LIG:H:SO4:105:.",
      "protein_id": "UP:Q7Z4V5",
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      "source_role": "ion/additive",
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      "verification_status": "phase5_derived_deposited_geometry",
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "source_role": "ion/additive",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGV:LIG:H:SO4:105:.:SITE:UP:Q7Z4V5:PWWP1:C",
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      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "source_role": "ion/additive",
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGQ:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGJ:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
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      "pdb_id": "7HGJ",
      "ligand_instance_id": "PDB:7HGJ:LIG:G:SO4:104:.",
      "protein_id": "UP:Q7Z4V5",
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      "ccd_url": "https://www.rcsb.org/ligand/SO4",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGF:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
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      "pdb_id": "7HGF",
      "ligand_instance_id": "PDB:7HGF:LIG:G:SO4:104:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
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      "source_url": "https://www.rcsb.org/structure/7HGF",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HHG:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
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      "ligand_instance_id": "PDB:7HHG:LIG:G:SO4:104:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
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      "contact_class": "broader_Pfam_PWWP_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/7HHG",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGM:LIG:H:SO4:105:.:SITE:UP:Q7Z4V5:PWWP1:C",
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      "ligand_instance_id": "PDB:7HGM:LIG:H:SO4:105:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
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      "contact_class": "broader_Pfam_PWWP_contact",
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      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/7HGM",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HH4:LIG:H:SO4:105:.:SITE:UP:Q7Z4V5:PWWP1:C",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
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      "ligand_instance_id": "PDB:7HH4:LIG:H:SO4:105:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "ion/additive",
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      "source_url": "https://www.rcsb.org/structure/7HH4",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9GRS:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
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      "ligand_instance_id": "PDB:9GRS:LIG:E:SO4:102:.",
      "protein_id": "UP:Q7Z4V5",
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      "source_role": "ion/additive",
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      "ccd_url": "https://www.rcsb.org/ligand/SO4",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HHE:LIG:H:SO4:105:.:SITE:UP:Q7Z4V5:PWWP1:C",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
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      "pdb_id": "7HHE",
      "ligand_instance_id": "PDB:7HHE:LIG:H:SO4:105:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "ion/additive",
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      "contact_class": "broader_Pfam_PWWP_contact",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGK:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
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      "ligand_instance_id": "PDB:7HGK:LIG:G:SO4:104:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
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      "contact_class": "broader_Pfam_PWWP_contact",
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      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/7HGK",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HHL:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
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      "pdb_id": "7HHL",
      "ligand_instance_id": "PDB:7HHL:LIG:G:SO4:104:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
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      "contact_class": "broader_Pfam_PWWP_contact",
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      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/7HHL",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HH2:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
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      "protein_id": "UP:Q7Z4V5",
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      "source_role": "ion/additive",
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      "ccd_url": "https://www.rcsb.org/ligand/SO4",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HG8:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
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      "protein_id": "UP:Q7Z4V5",
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      "source_role": "ion/additive",
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      "ccd_url": "https://www.rcsb.org/ligand/SO4",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HG3:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
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      "ligand_instance_id": "PDB:7HG3:LIG:G:SO4:104:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "ion/additive",
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      "contact_class": "broader_Pfam_PWWP_contact",
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      "ccd_url": "https://www.rcsb.org/ligand/SO4",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HH1:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
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      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
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      "contact_class": "broader_Pfam_PWWP_contact",
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      "observed_other_component": true,
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      "ccd_url": "https://www.rcsb.org/ligand/SO4",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HG2:LIG:H:SO4:105:.:SITE:UP:Q7Z4V5:PWWP1:C",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
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      "ligand_instance_id": "PDB:7HG2:LIG:H:SO4:105:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
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      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/7HG2",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HH0:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
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      "ccd_url": "https://www.rcsb.org/ligand/SO4",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "ccd_url": "https://www.rcsb.org/ligand/SO4",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGI:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
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      "protein_id": "UP:Q7Z4V5",
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      "source_role": "ion/additive",
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      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/7HGI",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HG1:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "7HG1",
      "ligand_instance_id": "PDB:7HG1:LIG:G:SO4:104:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "broader_Pfam_PWWP_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/7HG1",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "ad483fb17e7bf3aac4c44d46fdc115d48105a898a421a45c9ed4b820761f7e04",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGB:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "7HGB",
      "ligand_instance_id": "PDB:7HGB:LIG:G:SO4:104:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "broader_Pfam_PWWP_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/7HGB",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "f7c57aabcf1cbcb0badead18c8a303bcf86dcee8e39f832783bc0d41e70083a4",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HH8:LIG:H:SO4:105:.:SITE:UP:Q7Z4V5:PWWP1:C",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "7HH8",
      "ligand_instance_id": "PDB:7HH8:LIG:H:SO4:105:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "broader_Pfam_PWWP_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/7HH8",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "3251ddf4154454b01892cc2df8128bc5179388b4d51210a6201d2324a8037aa3",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HHN:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "7HHN",
      "ligand_instance_id": "PDB:7HHN:LIG:G:SO4:104:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "broader_Pfam_PWWP_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/7HHN",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "9105e4fe5e2474ab1e99eb2bfdb54a71ba17200029e2ab2a13edbe991def4560",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGS:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "7HGS",
      "ligand_instance_id": "PDB:7HGS:LIG:G:SO4:104:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "broader_Pfam_PWWP_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/7HGS",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "9a427bb2d686a3db73f9bd9ed5453a7de93228c477936b0b3267d990cd881913",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HGG:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "7HGG",
      "ligand_instance_id": "PDB:7HGG:LIG:G:SO4:104:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "broader_Pfam_PWWP_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/7HGG",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "5da158f87adcb23832a391a2583061662ea6b868d4f34709b21174a08fbfdc8a",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HHK:LIG:H:SO4:105:.:SITE:UP:Q7Z4V5:PWWP1:C",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "7HHK",
      "ligand_instance_id": "PDB:7HHK:LIG:H:SO4:105:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "broader_Pfam_PWWP_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/7HHK",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "1a3c7b8e5d015f78992c468b0a82329764e92610b40da0f8fca9467f05dcd6a1",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HHF:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "7HHF",
      "ligand_instance_id": "PDB:7HHF:LIG:G:SO4:104:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "broader_Pfam_PWWP_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/7HHF",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "713b30775d7e5194ba3487e09e70f0b6b4cc85fe884ea835f44ef6d740f52059",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HG5:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "7HG5",
      "ligand_instance_id": "PDB:7HG5:LIG:G:SO4:104:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "broader_Pfam_PWWP_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/7HG5",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "bb39c9642cd82a37470ada6d1e0e4f59b40afbd6a922dd21af704e098ff88f1f",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7HG9:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "7HG9",
      "ligand_instance_id": "PDB:7HG9:LIG:G:SO4:104:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "broader_Pfam_PWWP_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/7HG9",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "46698a2c5719ea7f08cdfc12c81a087f1a8d7efa1bacbd8927f37dde082bc33a",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9I7J:LIG:G:DMS:101:.:SITE:UP:Q7Z4V5:PWWP1:D",
      "chemical_id": "INCHIKEY:IAZDPXIOMUYVGZ-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:IAZDPXIOMUYVGZ-UHFFFAOYSA-N",
      "pdb_id": "9I7J",
      "ligand_instance_id": "PDB:9I7J:LIG:G:DMS:101:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "solvent",
      "role_code": "solvent",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/9I7J",
      "ccd_url": "https://www.rcsb.org/ligand/DMS",
      "coordinate_sha256": "7a496ab9fa13504ba4ecef95fdb2ade078b3f47deb54f885b80948bad9aeba0c",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:6UE6:LIG:NA:UNX:2004:.:SITE:UP:O96028:PWWP1:D",
      "chemical_id": "CCD_UNRESOLVED:UNX",
      "compound_id": "CCD_UNRESOLVED:UNX",
      "pdb_id": "6UE6",
      "ligand_instance_id": "PDB:6UE6:LIG:NA:UNX:2004:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/6UE6",
      "ccd_url": "https://www.rcsb.org/ligand/UNX",
      "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7MDN:LIG:M:Y6V:401:.:SITE:UP:O96028:PWWP1:D",
      "chemical_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
      "pdb_id": "7MDN",
      "ligand_instance_id": "PDB:7MDN:LIG:M:Y6V:401:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "experimentally studied ligand",
      "role_code": "reported_studied_structural_ligand",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7MDN",
      "ccd_url": "https://www.rcsb.org/ligand/Y6V",
      "coordinate_sha256": "411eea421108aa7f0e46d8c191904297040016aeabc0f48ef43d4a7503888c2a",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7LMT:LIG:M:Y6V:401:.:SITE:UP:O96028:PWWP1:D",
      "chemical_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
      "pdb_id": "7LMT",
      "ligand_instance_id": "PDB:7LMT:LIG:M:Y6V:401:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "experimentally studied ligand",
      "role_code": "reported_studied_structural_ligand",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7LMT",
      "ccd_url": "https://www.rcsb.org/ligand/Y6V",
      "coordinate_sha256": "fb452dcc9ac176dd436a568f45cd7c3bec865b2422bfae1f7d54a214d9cff6c0",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:6UE6:LIG:KA:Q5D:2001:.:SITE:UP:O96028:PWWP1:D",
      "chemical_id": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N",
      "pdb_id": "6UE6",
      "ligand_instance_id": "PDB:6UE6:LIG:KA:Q5D:2001:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "experimentally studied ligand",
      "role_code": "reported_studied_structural_ligand",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/6UE6",
      "ccd_url": "https://www.rcsb.org/ligand/Q5D",
      "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:3QKJ:LIG:L:BTB:356:.:SITE:UP:Q9UBC3:PWWP1:D",
      "chemical_id": "INCHIKEY:OWMVSZAMULFTJU-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:OWMVSZAMULFTJU-UHFFFAOYSA-N",
      "pdb_id": "3QKJ",
      "ligand_instance_id": "PDB:3QKJ:LIG:L:BTB:356:.",
      "protein_id": "UP:Q9UBC3",
      "domain_id": "UP:Q9UBC3:PWWP1",
      "source_role": "buffer/additive",
      "role_code": "buffer_component",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/3QKJ",
      "ccd_url": "https://www.rcsb.org/ligand/BTB",
      "coordinate_sha256": "e94a2082f64ba107b7c13187a1af6dc528db6e5340be742ad57500d752199174",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5NRV:LIG:D:SO4:402:.:SITE:UP:Q9UBC3:PWWP1:A",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "5NRV",
      "ligand_instance_id": "PDB:5NRV:LIG:D:SO4:402:.",
      "protein_id": "UP:Q9UBC3",
      "domain_id": "UP:Q9UBC3:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/5NRV",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "d069ff65539e46f88b81c09ce8b540b38d9403ad77689dc00093cd38d90162bf",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:3QKJ:LIG:M:SO4:1:.:SITE:UP:Q9UBC3:PWWP1:D",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "3QKJ",
      "ligand_instance_id": "PDB:3QKJ:LIG:M:SO4:1:.",
      "protein_id": "UP:Q9UBC3",
      "domain_id": "UP:Q9UBC3:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/3QKJ",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "e94a2082f64ba107b7c13187a1af6dc528db6e5340be742ad57500d752199174",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5NRV:LIG:C:96K:401:.:SITE:UP:Q9UBC3:PWWP1:A",
      "chemical_id": "INCHIKEY:NGLYVCQIAOHIJE-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:NGLYVCQIAOHIJE-UHFFFAOYSA-N",
      "pdb_id": "5NRV",
      "ligand_instance_id": "PDB:5NRV:LIG:C:96K:401:.",
      "protein_id": "UP:Q9UBC3",
      "domain_id": "UP:Q9UBC3:PWWP1",
      "source_role": "experimentally deposited ligand",
      "role_code": "deposited_research_ligand",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/5NRV",
      "ccd_url": "https://www.rcsb.org/ligand/96K",
      "coordinate_sha256": "d069ff65539e46f88b81c09ce8b540b38d9403ad77689dc00093cd38d90162bf",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:3QKJ:LIG:G:SO4:4:.:SITE:UP:Q9UBC3:PWWP1:D",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "3QKJ",
      "ligand_instance_id": "PDB:3QKJ:LIG:G:SO4:4:.",
      "protein_id": "UP:Q9UBC3",
      "domain_id": "UP:Q9UBC3:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/3QKJ",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "e94a2082f64ba107b7c13187a1af6dc528db6e5340be742ad57500d752199174",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7LMT:LIG:O:UNX:402:.:SITE:UP:O96028:PWWP1:D",
      "chemical_id": "CCD_UNRESOLVED:UNX",
      "compound_id": "CCD_UNRESOLVED:UNX",
      "pdb_id": "7LMT",
      "ligand_instance_id": "PDB:7LMT:LIG:O:UNX:402:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7LMT",
      "ccd_url": "https://www.rcsb.org/ligand/UNX",
      "coordinate_sha256": "fb452dcc9ac176dd436a568f45cd7c3bec865b2422bfae1f7d54a214d9cff6c0",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7MDN:LIG:O:UNX:402:.:SITE:UP:O96028:PWWP1:D",
      "chemical_id": "CCD_UNRESOLVED:UNX",
      "compound_id": "CCD_UNRESOLVED:UNX",
      "pdb_id": "7MDN",
      "ligand_instance_id": "PDB:7MDN:LIG:O:UNX:402:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7MDN",
      "ccd_url": "https://www.rcsb.org/ligand/UNX",
      "coordinate_sha256": "411eea421108aa7f0e46d8c191904297040016aeabc0f48ef43d4a7503888c2a",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5NRV:LIG:F:SO4:404:.:SITE:UP:Q9UBC3:PWWP1:A",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "5NRV",
      "ligand_instance_id": "PDB:5NRV:LIG:F:SO4:404:.",
      "protein_id": "UP:Q9UBC3",
      "domain_id": "UP:Q9UBC3:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/5NRV",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "d069ff65539e46f88b81c09ce8b540b38d9403ad77689dc00093cd38d90162bf",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:3LLR:LIG:J:BTB:154:.:SITE:UP:Q9Y6K1:PWWP1:D",
      "chemical_id": "INCHIKEY:OWMVSZAMULFTJU-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:OWMVSZAMULFTJU-UHFFFAOYSA-N",
      "pdb_id": "3LLR",
      "ligand_instance_id": "PDB:3LLR:LIG:J:BTB:154:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "buffer/additive",
      "role_code": "buffer_component",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/3LLR",
      "ccd_url": "https://www.rcsb.org/ligand/BTB",
      "coordinate_sha256": "a8254ced10f69b3b39f750fa8cd9287339657ffd15b2b87702acc775b16fc7ed",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5NRV:LIG:I:SO4:407:.:SITE:UP:Q9UBC3:PWWP1:A",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "5NRV",
      "ligand_instance_id": "PDB:5NRV:LIG:I:SO4:407:.",
      "protein_id": "UP:Q9UBC3",
      "domain_id": "UP:Q9UBC3:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/5NRV",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "d069ff65539e46f88b81c09ce8b540b38d9403ad77689dc00093cd38d90162bf",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5NRV:LIG:G:SO4:405:.:SITE:UP:Q9UBC3:PWWP1:A",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "5NRV",
      "ligand_instance_id": "PDB:5NRV:LIG:G:SO4:405:.",
      "protein_id": "UP:Q9UBC3",
      "domain_id": "UP:Q9UBC3:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/5NRV",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "d069ff65539e46f88b81c09ce8b540b38d9403ad77689dc00093cd38d90162bf",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:3QKJ:LIG:N:SO4:2:.:SITE:UP:Q9UBC3:PWWP1:D",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "3QKJ",
      "ligand_instance_id": "PDB:3QKJ:LIG:N:SO4:2:.",
      "protein_id": "UP:Q9UBC3",
      "domain_id": "UP:Q9UBC3:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/3QKJ",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "e94a2082f64ba107b7c13187a1af6dc528db6e5340be742ad57500d752199174",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5NRV:LIG:M:SO4:404:.:SITE:UP:Q9UBC3:PWWP1:A",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "5NRV",
      "ligand_instance_id": "PDB:5NRV:LIG:M:SO4:404:.",
      "protein_id": "UP:Q9UBC3",
      "domain_id": "UP:Q9UBC3:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/5NRV",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "d069ff65539e46f88b81c09ce8b540b38d9403ad77689dc00093cd38d90162bf",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7MDN:LIG:L:Y6V:401:.:SITE:UP:O96028:PWWP1:D",
      "chemical_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
      "pdb_id": "7MDN",
      "ligand_instance_id": "PDB:7MDN:LIG:L:Y6V:401:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "experimentally studied ligand",
      "role_code": "reported_studied_structural_ligand",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7MDN",
      "ccd_url": "https://www.rcsb.org/ligand/Y6V",
      "coordinate_sha256": "411eea421108aa7f0e46d8c191904297040016aeabc0f48ef43d4a7503888c2a",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7LMT:LIG:L:Y6V:401:.:SITE:UP:O96028:PWWP1:D",
      "chemical_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
      "pdb_id": "7LMT",
      "ligand_instance_id": "PDB:7LMT:LIG:L:Y6V:401:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "experimentally studied ligand",
      "role_code": "reported_studied_structural_ligand",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7LMT",
      "ccd_url": "https://www.rcsb.org/ligand/Y6V",
      "coordinate_sha256": "fb452dcc9ac176dd436a568f45cd7c3bec865b2422bfae1f7d54a214d9cff6c0",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:6UE6:LIG:MA:UNX:2003:.:SITE:UP:O96028:PWWP1:D",
      "chemical_id": "CCD_UNRESOLVED:UNX",
      "compound_id": "CCD_UNRESOLVED:UNX",
      "pdb_id": "6UE6",
      "ligand_instance_id": "PDB:6UE6:LIG:MA:UNX:2003:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/6UE6",
      "ccd_url": "https://www.rcsb.org/ligand/UNX",
      "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:6UE6:LIG:EA:Q5D:2001:.:SITE:UP:O96028:PWWP1:D",
      "chemical_id": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N",
      "pdb_id": "6UE6",
      "ligand_instance_id": "PDB:6UE6:LIG:EA:Q5D:2001:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "experimentally studied ligand",
      "role_code": "reported_studied_structural_ligand",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/6UE6",
      "ccd_url": "https://www.rcsb.org/ligand/Q5D",
      "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:6UE6:LIG:FA:UNX:2002:.:SITE:UP:O96028:PWWP1:D",
      "chemical_id": "CCD_UNRESOLVED:UNX",
      "compound_id": "CCD_UNRESOLVED:UNX",
      "pdb_id": "6UE6",
      "ligand_instance_id": "PDB:6UE6:LIG:FA:UNX:2002:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/6UE6",
      "ccd_url": "https://www.rcsb.org/ligand/UNX",
      "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:3QKJ:LIG:F:SO4:3:.:SITE:UP:Q9UBC3:PWWP1:D",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "3QKJ",
      "ligand_instance_id": "PDB:3QKJ:LIG:F:SO4:3:.",
      "protein_id": "UP:Q9UBC3",
      "domain_id": "UP:Q9UBC3:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/3QKJ",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "e94a2082f64ba107b7c13187a1af6dc528db6e5340be742ad57500d752199174",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5Y1Z:LIG:N:ZN:503:.:SITE:UP:Q9ULU4:PWWP1:D",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "pdb_id": "5Y1Z",
      "ligand_instance_id": "PDB:5Y1Z:LIG:N:ZN:503:.",
      "protein_id": "UP:Q9ULU4",
      "domain_id": "UP:Q9ULU4:PWWP1",
      "source_role": "ion/cofactor_requires_context",
      "role_code": "ion_cofactor_role_unresolved",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
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      "source_url": "https://www.rcsb.org/structure/5Y1Z",
      "ccd_url": "https://www.rcsb.org/ligand/ZN",
      "coordinate_sha256": "be13d6b91869c9f53cf8d4f56feeafd44b575e91a966831894aab4ceffbf73a3",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:6G3T:LIG:G:EPE:401:.:SITE:UP:Q9BZ95:PWWP1:D",
      "chemical_id": "INCHIKEY:JKMHFZQWWAIEOD-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:JKMHFZQWWAIEOD-UHFFFAOYSA-N",
      "pdb_id": "6G3T",
      "ligand_instance_id": "PDB:6G3T:LIG:G:EPE:401:.",
      "protein_id": "UP:Q9BZ95",
      "domain_id": "UP:Q9BZ95:PWWP1",
      "source_role": "buffer/additive",
      "role_code": "buffer_component",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/6G3T",
      "ccd_url": "https://www.rcsb.org/ligand/EPE",
      "coordinate_sha256": "bcb9eefd74501eef94395c8084b387e431f9bd9bff20e41b2999992d42af23c5",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5NRV:LIG:H:SO4:406:.:SITE:UP:Q9UBC3:PWWP1:A",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "5NRV",
      "ligand_instance_id": "PDB:5NRV:LIG:H:SO4:406:.",
      "protein_id": "UP:Q9UBC3",
      "domain_id": "UP:Q9UBC3:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "broader_Pfam_PWWP_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/5NRV",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "d069ff65539e46f88b81c09ce8b540b38d9403ad77689dc00093cd38d90162bf",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5Y1Z:LIG:O:SO4:504:.:SITE:UP:Q9ULU4:PWWP1:D",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "5Y1Z",
      "ligand_instance_id": "PDB:5Y1Z:LIG:O:SO4:504:.",
      "protein_id": "UP:Q9ULU4",
      "domain_id": "UP:Q9ULU4:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/5Y1Z",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "be13d6b91869c9f53cf8d4f56feeafd44b575e91a966831894aab4ceffbf73a3",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:5Y1Z:LIG:P:SO4:505:.:SITE:UP:Q9ULU4:PWWP1:D",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "5Y1Z",
      "ligand_instance_id": "PDB:5Y1Z:LIG:P:SO4:505:.",
      "protein_id": "UP:Q9ULU4",
      "domain_id": "UP:Q9ULU4:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/5Y1Z",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "be13d6b91869c9f53cf8d4f56feeafd44b575e91a966831894aab4ceffbf73a3",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:6UE6:LIG:IA:UNX:2005:.:SITE:UP:O96028:PWWP1:D",
      "chemical_id": "CCD_UNRESOLVED:UNX",
      "compound_id": "CCD_UNRESOLVED:UNX",
      "pdb_id": "6UE6",
      "ligand_instance_id": "PDB:6UE6:LIG:IA:UNX:2005:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "broader_Pfam_PWWP_contact",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/6UE6",
      "ccd_url": "https://www.rcsb.org/ligand/UNX",
      "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:6UE6:LIG:LA:UNX:2002:.:SITE:UP:O96028:PWWP1:D",
      "chemical_id": "CCD_UNRESOLVED:UNX",
      "compound_id": "CCD_UNRESOLVED:UNX",
      "pdb_id": "6UE6",
      "ligand_instance_id": "PDB:6UE6:LIG:LA:UNX:2002:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "broader_Pfam_PWWP_contact",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/6UE6",
      "ccd_url": "https://www.rcsb.org/ligand/UNX",
      "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9I7J:LIG:F:DMS:101:.:SITE:UP:Q7Z4V5:PWWP1:D",
      "chemical_id": "INCHIKEY:IAZDPXIOMUYVGZ-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:IAZDPXIOMUYVGZ-UHFFFAOYSA-N",
      "pdb_id": "9I7J",
      "ligand_instance_id": "PDB:9I7J:LIG:F:DMS:101:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "solvent",
      "role_code": "solvent",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/9I7J",
      "ccd_url": "https://www.rcsb.org/ligand/DMS",
      "coordinate_sha256": "7a496ab9fa13504ba4ecef95fdb2ade078b3f47deb54f885b80948bad9aeba0c",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:3PMI:LIG:I:UNL:21:.:SITE:UP:Q2TAK8:PWWP1:D",
      "chemical_id": "CCD_UNRESOLVED:UNL",
      "compound_id": "CCD_UNRESOLVED:UNL",
      "pdb_id": "3PMI",
      "ligand_instance_id": "PDB:3PMI:LIG:I:UNL:21:.",
      "protein_id": "UP:Q2TAK8",
      "domain_id": "UP:Q2TAK8:PWWP1",
      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/3PMI",
      "ccd_url": "https://www.rcsb.org/ligand/UNL",
      "coordinate_sha256": "52f3b3990ae56709e3ade6285042ecceba9dc6e0df5bbbb1e8a8eb4ff99d78ea",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:2X4X:LIG:F:M3L:36:15:SITE:UP:P55201:PWWP1:E",
      "chemical_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O",
      "compound_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O",
      "pdb_id": "2X4X",
      "ligand_instance_id": "PDB:2X4X:LIG:F:M3L:36:15",
      "protein_id": "UP:P55201",
      "domain_id": "UP:P55201:PWWP1",
      "source_role": null,
      "role_code": "unclassified_biological_component",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/2X4X",
      "ccd_url": "https://www.rcsb.org/ligand/M3L",
      "coordinate_sha256": "f013aab80fdce256f5d371e91a4d19e4d9917989b33e83195440290a400e7097",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:2X4Y:LIG:F:M3L:36:15:SITE:UP:P55201:PWWP1:E",
      "chemical_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O",
      "compound_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O",
      "pdb_id": "2X4Y",
      "ligand_instance_id": "PDB:2X4Y:LIG:F:M3L:36:15",
      "protein_id": "UP:P55201",
      "domain_id": "UP:P55201:PWWP1",
      "source_role": null,
      "role_code": "unclassified_biological_component",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/2X4Y",
      "ccd_url": "https://www.rcsb.org/ligand/M3L",
      "coordinate_sha256": "d176722770f62d8382f5a0ecad813969c335bbf99bff85449860bfe2d67c59b7",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:2X4Y:LIG:V:SO4:2206:.:SITE:UP:P55201:PWWP1:E",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "2X4Y",
      "ligand_instance_id": "PDB:2X4Y:LIG:V:SO4:2206:.",
      "protein_id": "UP:P55201",
      "domain_id": "UP:P55201:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/2X4Y",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "d176722770f62d8382f5a0ecad813969c335bbf99bff85449860bfe2d67c59b7",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:9I7F:LIG:I:EDO:101:.:SITE:UP:Q7Z4V5:PWWP1:E",
      "chemical_id": "INCHIKEY:LYCAIKOWRPUZTN-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:LYCAIKOWRPUZTN-UHFFFAOYSA-N",
      "pdb_id": "9I7F",
      "ligand_instance_id": "PDB:9I7F:LIG:I:EDO:101:.",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "source_role": "cryoprotectant/additive",
      "role_code": "cryoprotectant",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/9I7F",
      "ccd_url": "https://www.rcsb.org/ligand/EDO",
      "coordinate_sha256": "237f68a9875104d57e6ebc9c62208383f996a6710e831b27711baaddf338da6a",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:6UE6:LIG:PA:UNX:2002:.:SITE:UP:O96028:PWWP1:E",
      "chemical_id": "CCD_UNRESOLVED:UNX",
      "compound_id": "CCD_UNRESOLVED:UNX",
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      "ligand_instance_id": "PDB:6UE6:LIG:PA:UNX:2002:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/6UE6",
      "ccd_url": "https://www.rcsb.org/ligand/UNX",
      "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7MDN:LIG:N:Y6V:401:.:SITE:UP:O96028:PWWP1:E",
      "chemical_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
      "pdb_id": "7MDN",
      "ligand_instance_id": "PDB:7MDN:LIG:N:Y6V:401:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "experimentally studied ligand",
      "role_code": "reported_studied_structural_ligand",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7MDN",
      "ccd_url": "https://www.rcsb.org/ligand/Y6V",
      "coordinate_sha256": "411eea421108aa7f0e46d8c191904297040016aeabc0f48ef43d4a7503888c2a",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7LMT:LIG:N:Y6V:401:.:SITE:UP:O96028:PWWP1:E",
      "chemical_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
      "pdb_id": "7LMT",
      "ligand_instance_id": "PDB:7LMT:LIG:N:Y6V:401:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "experimentally studied ligand",
      "role_code": "reported_studied_structural_ligand",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7LMT",
      "ccd_url": "https://www.rcsb.org/ligand/Y6V",
      "coordinate_sha256": "fb452dcc9ac176dd436a568f45cd7c3bec865b2422bfae1f7d54a214d9cff6c0",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:6UE6:LIG:OA:Q5D:2001:.:SITE:UP:O96028:PWWP1:E",
      "chemical_id": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N",
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      "ligand_instance_id": "PDB:6UE6:LIG:OA:Q5D:2001:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "experimentally studied ligand",
      "role_code": "reported_studied_structural_ligand",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/6UE6",
      "ccd_url": "https://www.rcsb.org/ligand/Q5D",
      "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:3LLR:LIG:K:BTB:154:.:SITE:UP:Q9Y6K1:PWWP1:E",
      "chemical_id": "INCHIKEY:OWMVSZAMULFTJU-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:OWMVSZAMULFTJU-UHFFFAOYSA-N",
      "pdb_id": "3LLR",
      "ligand_instance_id": "PDB:3LLR:LIG:K:BTB:154:.",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "source_role": "buffer/additive",
      "role_code": "buffer_component",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/3LLR",
      "ccd_url": "https://www.rcsb.org/ligand/BTB",
      "coordinate_sha256": "a8254ced10f69b3b39f750fa8cd9287339657ffd15b2b87702acc775b16fc7ed",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:6UE6:LIG:QA:UNX:2003:.:SITE:UP:O96028:PWWP1:E",
      "chemical_id": "CCD_UNRESOLVED:UNX",
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      "ligand_instance_id": "PDB:6UE6:LIG:QA:UNX:2003:.",
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "ligand_instance_id": "PDB:7LMT:LIG:O:UNX:402:.",
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      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "ligand_instance_id": "PDB:7MDN:LIG:M:Y6V:401:.",
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
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    },
    {
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      "ligand_instance_id": "PDB:6UE6:LIG:RA:UNX:2004:.",
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    },
    {
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    },
    {
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "observed_other_component": false,
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "ligand_instance_id": "PDB:6UE6:LIG:VA:UNX:2002:.",
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "verification_status": "phase5_derived_deposited_geometry",
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    },
    {
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      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
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    },
    {
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      "ligand_instance_id": "PDB:7MDN:LIG:J:UNX:402:.",
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    },
    {
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    },
    {
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    },
    {
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:6UE6:LIG:TA:UNX:2006:.:SITE:UP:O96028:PWWP1:F",
      "chemical_id": "CCD_UNRESOLVED:UNX",
      "compound_id": "CCD_UNRESOLVED:UNX",
      "pdb_id": "6UE6",
      "ligand_instance_id": "PDB:6UE6:LIG:TA:UNX:2006:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/6UE6",
      "ccd_url": "https://www.rcsb.org/ligand/UNX",
      "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:6UE6:LIG:OA:Q5D:2001:.:SITE:UP:O96028:PWWP1:F",
      "chemical_id": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N",
      "pdb_id": "6UE6",
      "ligand_instance_id": "PDB:6UE6:LIG:OA:Q5D:2001:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "experimentally studied ligand",
      "role_code": "reported_studied_structural_ligand",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/6UE6",
      "ccd_url": "https://www.rcsb.org/ligand/Q5D",
      "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:6UE6:LIG:XA:UNX:2004:.:SITE:UP:O96028:PWWP1:F",
      "chemical_id": "CCD_UNRESOLVED:UNX",
      "compound_id": "CCD_UNRESOLVED:UNX",
      "pdb_id": "6UE6",
      "ligand_instance_id": "PDB:6UE6:LIG:XA:UNX:2004:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/6UE6",
      "ccd_url": "https://www.rcsb.org/ligand/UNX",
      "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:6UE6:LIG:YA:UNX:2005:.:SITE:UP:O96028:PWWP1:F",
      "chemical_id": "CCD_UNRESOLVED:UNX",
      "compound_id": "CCD_UNRESOLVED:UNX",
      "pdb_id": "6UE6",
      "ligand_instance_id": "PDB:6UE6:LIG:YA:UNX:2005:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/6UE6",
      "ccd_url": "https://www.rcsb.org/ligand/UNX",
      "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:2X4Y:LIG:H:M3L:36:15:SITE:UP:P55201:PWWP1:G",
      "chemical_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O",
      "compound_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O",
      "pdb_id": "2X4Y",
      "ligand_instance_id": "PDB:2X4Y:LIG:H:M3L:36:15",
      "protein_id": "UP:P55201",
      "domain_id": "UP:P55201:PWWP1",
      "source_role": null,
      "role_code": "unclassified_biological_component",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/2X4Y",
      "ccd_url": "https://www.rcsb.org/ligand/M3L",
      "coordinate_sha256": "d176722770f62d8382f5a0ecad813969c335bbf99bff85449860bfe2d67c59b7",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:2X4X:LIG:H:M3L:36:15:SITE:UP:P55201:PWWP1:G",
      "chemical_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O",
      "compound_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O",
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      "ligand_instance_id": "PDB:2X4X:LIG:H:M3L:36:15",
      "protein_id": "UP:P55201",
      "domain_id": "UP:P55201:PWWP1",
      "source_role": null,
      "role_code": "unclassified_biological_component",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/2X4X",
      "ccd_url": "https://www.rcsb.org/ligand/M3L",
      "coordinate_sha256": "f013aab80fdce256f5d371e91a4d19e4d9917989b33e83195440290a400e7097",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:2X4Y:LIG:W:SO4:2204:.:SITE:UP:P55201:PWWP1:G",
      "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "pdb_id": "2X4Y",
      "ligand_instance_id": "PDB:2X4Y:LIG:W:SO4:2204:.",
      "protein_id": "UP:P55201",
      "domain_id": "UP:P55201:PWWP1",
      "source_role": "ion/additive",
      "role_code": "ion_or_salt",
      "role_group": "other_component",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": true,
      "source_url": "https://www.rcsb.org/structure/2X4Y",
      "ccd_url": "https://www.rcsb.org/ligand/SO4",
      "coordinate_sha256": "d176722770f62d8382f5a0ecad813969c335bbf99bff85449860bfe2d67c59b7",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:6UE6:LIG:KB:UNX:2012:.:SITE:UP:O96028:PWWP1:G",
      "chemical_id": "CCD_UNRESOLVED:UNX",
      "compound_id": "CCD_UNRESOLVED:UNX",
      "pdb_id": "6UE6",
      "ligand_instance_id": "PDB:6UE6:LIG:KB:UNX:2012:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/6UE6",
      "ccd_url": "https://www.rcsb.org/ligand/UNX",
      "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7MDN:LIG:Q:Y6V:401:.:SITE:UP:O96028:PWWP1:G",
      "chemical_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
      "pdb_id": "7MDN",
      "ligand_instance_id": "PDB:7MDN:LIG:Q:Y6V:401:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "experimentally studied ligand",
      "role_code": "reported_studied_structural_ligand",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7MDN",
      "ccd_url": "https://www.rcsb.org/ligand/Y6V",
      "coordinate_sha256": "411eea421108aa7f0e46d8c191904297040016aeabc0f48ef43d4a7503888c2a",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7LMT:LIG:Q:Y6V:401:.:SITE:UP:O96028:PWWP1:G",
      "chemical_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
      "pdb_id": "7LMT",
      "ligand_instance_id": "PDB:7LMT:LIG:Q:Y6V:401:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "experimentally studied ligand",
      "role_code": "reported_studied_structural_ligand",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7LMT",
      "ccd_url": "https://www.rcsb.org/ligand/Y6V",
      "coordinate_sha256": "fb452dcc9ac176dd436a568f45cd7c3bec865b2422bfae1f7d54a214d9cff6c0",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:6UE6:LIG:ZA:Q5D:2001:.:SITE:UP:O96028:PWWP1:G",
      "chemical_id": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N",
      "compound_id": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N",
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      "ligand_instance_id": "PDB:6UE6:LIG:ZA:Q5D:2001:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "experimentally studied ligand",
      "role_code": "reported_studied_structural_ligand",
      "role_group": "research_ligand",
      "exact_pwwp_contact": true,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": true,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/6UE6",
      "ccd_url": "https://www.rcsb.org/ligand/Q5D",
      "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:6UE6:LIG:JB:UNX:2011:.:SITE:UP:O96028:PWWP1:G",
      "chemical_id": "CCD_UNRESOLVED:UNX",
      "compound_id": "CCD_UNRESOLVED:UNX",
      "pdb_id": "6UE6",
      "ligand_instance_id": "PDB:6UE6:LIG:JB:UNX:2011:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/6UE6",
      "ccd_url": "https://www.rcsb.org/ligand/UNX",
      "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:6UE6:LIG:DB:UNX:2005:.:SITE:UP:O96028:PWWP1:G",
      "chemical_id": "CCD_UNRESOLVED:UNX",
      "compound_id": "CCD_UNRESOLVED:UNX",
      "pdb_id": "6UE6",
      "ligand_instance_id": "PDB:6UE6:LIG:DB:UNX:2005:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/6UE6",
      "ccd_url": "https://www.rcsb.org/ligand/UNX",
      "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:6UE6:LIG:EB:UNX:2006:.:SITE:UP:O96028:PWWP1:G",
      "chemical_id": "CCD_UNRESOLVED:UNX",
      "compound_id": "CCD_UNRESOLVED:UNX",
      "pdb_id": "6UE6",
      "ligand_instance_id": "PDB:6UE6:LIG:EB:UNX:2006:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/6UE6",
      "ccd_url": "https://www.rcsb.org/ligand/UNX",
      "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:6UE6:LIG:FB:UNX:2007:.:SITE:UP:O96028:PWWP1:G",
      "chemical_id": "CCD_UNRESOLVED:UNX",
      "compound_id": "CCD_UNRESOLVED:UNX",
      "pdb_id": "6UE6",
      "ligand_instance_id": "PDB:6UE6:LIG:FB:UNX:2007:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/6UE6",
      "ccd_url": "https://www.rcsb.org/ligand/UNX",
      "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:6UE6:LIG:IB:UNX:2010:.:SITE:UP:O96028:PWWP1:G",
      "chemical_id": "CCD_UNRESOLVED:UNX",
      "compound_id": "CCD_UNRESOLVED:UNX",
      "pdb_id": "6UE6",
      "ligand_instance_id": "PDB:6UE6:LIG:IB:UNX:2010:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
      "role_group": "context_unresolved",
      "exact_pwwp_contact": false,
      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/6UE6",
      "ccd_url": "https://www.rcsb.org/ligand/UNX",
      "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:6UE6:LIG:BB:UNX:2003:.:SITE:UP:O96028:PWWP1:G",
      "chemical_id": "CCD_UNRESOLVED:UNX",
      "compound_id": "CCD_UNRESOLVED:UNX",
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      "ligand_instance_id": "PDB:6UE6:LIG:BB:UNX:2003:.",
      "protein_id": "UP:O96028",
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      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
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      "source_url": "https://www.rcsb.org/structure/6UE6",
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      "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7LMT:LIG:R:Y6V:401:.:SITE:UP:O96028:PWWP1:G",
      "chemical_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
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      "ligand_instance_id": "PDB:7LMT:LIG:R:Y6V:401:.",
      "protein_id": "UP:O96028",
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      "source_role": "experimentally studied ligand",
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      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/7LMT",
      "ccd_url": "https://www.rcsb.org/ligand/Y6V",
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      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "ligand_instance_id": "PDB:7MDN:LIG:R:Y6V:401:.",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "ligand_instance_id": "PDB:6UE6:LIG:UA:Q5D:2001:.",
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      "source_role": "experimentally studied ligand",
      "role_code": "reported_studied_structural_ligand",
      "role_group": "research_ligand",
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      "ccd_url": "https://www.rcsb.org/ligand/Q5D",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "ligand_instance_id": "PDB:6UE6:LIG:HB:UNX:2009:.",
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      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
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      "contact_class": "native_annotation_core_contact",
      "structural_research_ligand": false,
      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/6UE6",
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      "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "compound_id": "CCD_UNRESOLVED:UNX",
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      "ligand_instance_id": "PDB:6UE6:LIG:GB:UNX:2008:.",
      "protein_id": "UP:O96028",
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      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
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      "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "compound_id": "CCD_UNRESOLVED:UNX",
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      "ligand_instance_id": "PDB:6UE6:LIG:AB:UNX:2002:.",
      "protein_id": "UP:O96028",
      "domain_id": "UP:O96028:PWWP1",
      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
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      "contact_class": "native_annotation_core_contact",
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      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/6UE6",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "compound_id": "CCD_UNRESOLVED:UNX",
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      "ligand_instance_id": "PDB:6UE6:LIG:CB:UNX:2004:.",
      "protein_id": "UP:O96028",
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      "source_role": "unknown chemical component",
      "role_code": "unknown_component",
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      "exact_pwwp_contact": false,
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      "observed_other_component": false,
      "source_url": "https://www.rcsb.org/structure/6UE6",
      "ccd_url": "https://www.rcsb.org/ligand/UNX",
      "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27",
      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "ligand_instance_id": "PDB:6UE6:LIG:XA:UNX:2004:.",
      "protein_id": "UP:O96028",
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      "source_role": "unknown chemical component",
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      "contact_class": "broader_Pfam_PWWP_contact",
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      "source_url": "https://www.rcsb.org/structure/6UE6",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "ligand_instance_id": "PDB:6UE6:LIG:MB:UNX:2002:.",
      "protein_id": "UP:O96028",
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      "source_role": "unknown chemical component",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:6UE6:LIG:OB:UNX:2004:.:SITE:UP:O96028:PWWP1:H",
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      "compound_id": "CCD_UNRESOLVED:UNX",
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      "ligand_instance_id": "PDB:6UE6:LIG:OB:UNX:2004:.",
      "protein_id": "UP:O96028",
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      "source_role": "unknown chemical component",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7MDN:LIG:R:Y6V:401:.:SITE:UP:O96028:PWWP1:H",
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      "ligand_instance_id": "PDB:7MDN:LIG:R:Y6V:401:.",
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      "source_url": "https://www.rcsb.org/structure/7MDN",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "ligand_instance_id": "PDB:7LMT:LIG:R:Y6V:401:.",
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      "source_url": "https://www.rcsb.org/structure/7LMT",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "ligand_instance_id": "PDB:6UE6:LIG:LB:Q5D:2001:.",
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      "source_role": "experimentally studied ligand",
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      "source_url": "https://www.rcsb.org/structure/6UE6",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
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    },
    {
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      "source_role": "unknown chemical component",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
      "site_id": "PDB:7MDN:LIG:I:Y6V:401:.:SITE:UP:O96028:PWWP1:H",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "source_url": "https://www.rcsb.org/structure/7LMT",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
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    },
    {
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      "source_role": "unknown chemical component",
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      "verification_status": "phase5_derived_deposited_geometry",
      "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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      "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope"
    },
    {
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        "PDB:9I7F:LIG:H:EDO:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGZ:LIG:F:EDO:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HH8:LIG:I:EDO:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HH5:LIG:I:EDO:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGZ:LIG:I:EDO:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
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        "PDB:9I7I:LIG:F:EDO:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HH2:LIG:H:EDO:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
        "PDB:9I7E:LIG:D:EDO:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
        "PDB:9I7A:LIG:C:EDO:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
        "PDB:7HH5:LIG:I:EDO:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
        "PDB:7HGZ:LIG:I:EDO:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
        "PDB:7HH8:LIG:I:EDO:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
        "PDB:7HGP:LIG:I:EDO:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
        "PDB:9I7I:LIG:F:EDO:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
        "PDB:9I7E:LIG:E:EDO:102:.:SITE:UP:Q7Z4V5:PWWP1:B",
        "PDB:7HGY:LIG:K:EDO:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HG7:LIG:K:EDO:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HH8:LIG:L:EDO:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HH7:LIG:K:EDO:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGD:LIG:L:EDO:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HG2:LIG:L:EDO:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGU:LIG:K:EDO:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HG8:LIG:K:EDO:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HHN:LIG:K:EDO:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HHJ:LIG:K:EDO:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HHO:LIG:K:EDO:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGE:LIG:K:EDO:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HH1:LIG:K:EDO:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGK:LIG:K:EDO:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HG1:LIG:K:EDO:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HHP:LIG:K:EDO:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGA:LIG:K:EDO:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HH6:LIG:K:EDO:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HHH:LIG:K:EDO:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGS:LIG:K:EDO:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HH0:LIG:K:EDO:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGH:LIG:K:EDO:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HG0:LIG:K:EDO:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGB:LIG:K:EDO:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:9I7I:LIG:I:EDO:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HG4:LIG:K:EDO:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGC:LIG:K:EDO:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGQ:LIG:K:EDO:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HHG:LIG:K:EDO:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGO:LIG:K:EDO:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGF:LIG:K:EDO:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HHR:LIG:K:EDO:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HHF:LIG:K:EDO:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGW:LIG:K:EDO:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGZ:LIG:L:EDO:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HG6:LIG:K:EDO:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HHD:LIG:K:EDO:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HH3:LIG:K:EDO:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGP:LIG:L:EDO:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HG3:LIG:K:EDO:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HHI:LIG:K:EDO:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGG:LIG:K:EDO:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:9I7F:LIG:I:EDO:101:.:SITE:UP:Q7Z4V5:PWWP1:E"
      ],
      "verification_pending": false,
      "source_rule": "Domain rows use only exact domain_id; protein-level source observations never promoted to domains"
    },
    {
      "compound_id": "INCHIKEY:LYCAIKOWRPUZTN-UHFFFAOYSA-N",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "studied_compound": false,
      "measured_count": 0,
      "direct_positive_binder": false,
      "reported_probe": false,
      "reported_control": false,
      "cellular_activity": false,
      "protein_degradation": false,
      "structural_research_ligand": false,
      "structural_pdb_count": 0,
      "deposited_site_count": 126,
      "other_component": true,
      "other_component_count": 126,
      "association_only": true,
      "bioactivity_only": false,
      "assay_ids": [],
      "site_ids": [
        "PDB:9I7F:LIG:G:EDO:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:9I7E:LIG:C:EDO:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HHF:LIG:F:EDO:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HHI:LIG:F:EDO:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HH2:LIG:F:EDO:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:9G96:LIG:C:EDO:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HH8:LIG:F:EDO:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HG7:LIG:F:EDO:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HG2:LIG:F:EDO:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HHR:LIG:F:EDO:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HHO:LIG:F:EDO:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGV:LIG:F:EDO:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGG:LIG:F:EDO:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HHN:LIG:F:EDO:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HH3:LIG:F:EDO:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGQ:LIG:F:EDO:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HH5:LIG:F:EDO:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HHQ:LIG:F:EDO:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HH1:LIG:F:EDO:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGR:LIG:F:EDO:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HHC:LIG:F:EDO:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGI:LIG:F:EDO:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HHP:LIG:F:EDO:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HG5:LIG:F:EDO:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGM:LIG:F:EDO:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:9G91:LIG:C:EDO:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGH:LIG:F:EDO:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HH9:LIG:F:EDO:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGB:LIG:F:EDO:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGX:LIG:F:EDO:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HHD:LIG:F:EDO:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HG0:LIG:F:EDO:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGN:LIG:F:EDO:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGO:LIG:F:EDO:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HG4:LIG:F:EDO:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HG8:LIG:F:EDO:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
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        "PDB:7HG1:LIG:F:EDO:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HH6:LIG:F:EDO:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HH0:LIG:F:EDO:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGP:LIG:F:EDO:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HHA:LIG:F:EDO:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HHM:LIG:F:EDO:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HHH:LIG:F:EDO:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HH4:LIG:F:EDO:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGC:LIG:F:EDO:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGT:LIG:F:EDO:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HH7:LIG:F:EDO:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGW:LIG:F:EDO:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGK:LIG:F:EDO:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HHL:LIG:F:EDO:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HHB:LIG:F:EDO:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HHG:LIG:F:EDO:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGF:LIG:F:EDO:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGD:LIG:F:EDO:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGY:LIG:F:EDO:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HHJ:LIG:F:EDO:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGU:LIG:F:EDO:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HHK:LIG:F:EDO:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HHE:LIG:F:EDO:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HG3:LIG:F:EDO:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HG6:LIG:F:EDO:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
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        "PDB:7HGS:LIG:F:EDO:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGE:LIG:F:EDO:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGJ:LIG:F:EDO:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:9I7F:LIG:H:EDO:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGZ:LIG:F:EDO:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HH8:LIG:I:EDO:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HH5:LIG:I:EDO:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGZ:LIG:I:EDO:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HH2:LIG:H:EDO:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:9I7I:LIG:F:EDO:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HH2:LIG:H:EDO:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
        "PDB:9I7E:LIG:D:EDO:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
        "PDB:9I7A:LIG:C:EDO:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
        "PDB:7HH5:LIG:I:EDO:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
        "PDB:7HGZ:LIG:I:EDO:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
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        "PDB:9E0F:LIG:K:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:C",
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        "PDB:9E3R:LIG:GA:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:U",
        "PDB:9E0G:LIG:K:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:C",
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      "source_rule": "Domain rows use only exact domain_id; protein-level source observations never promoted to domains"
    },
    {
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    },
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    },
    {
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    },
    {
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      "assay_ids": [],
      "site_ids": [
        "PDB:2X4Y:LIG:S:SO4:2208:.:SITE:UP:P55201:PWWP1:A",
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        "PDB:2X4Y:LIG:V:SO4:2206:.:SITE:UP:P55201:PWWP1:E",
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      "verification_pending": false,
      "source_rule": "Domain rows use only exact domain_id; protein-level source observations never promoted to domains"
    },
    {
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
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      "site_ids": [
        "PDB:2X4Y:LIG:S:SO4:2208:.:SITE:UP:P55201:PWWP1:A",
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      "verification_pending": false,
      "source_rule": "Domain rows use only exact domain_id; protein-level source observations never promoted to domains"
    },
    {
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
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        "PDB:3PMI:LIG:E:SO4:2:.:SITE:UP:Q2TAK8:PWWP1:A",
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      "verification_pending": false,
      "source_rule": "Domain rows use only exact domain_id; protein-level source observations never promoted to domains"
    },
    {
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
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      "association_only": true,
      "bioactivity_only": false,
      "assay_ids": [],
      "site_ids": [
        "PDB:3PMI:LIG:E:SO4:2:.:SITE:UP:Q2TAK8:PWWP1:A",
        "PDB:3PMI:LIG:G:SO4:1:.:SITE:UP:Q2TAK8:PWWP1:B"
      ],
      "verification_pending": false,
      "source_rule": "Domain rows use only exact domain_id; protein-level source observations never promoted to domains"
    },
    {
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
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      "assay_ids": [],
      "site_ids": [
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        "PDB:8Z6C:LIG:F:SO4:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:9G96:LIG:E:SO4:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HH1:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:3QJ6:LIG:C:SO4:94:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGM:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGB:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:9I7B:LIG:D:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HHB:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:9I7G:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HH4:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HHH:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGR:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HHI:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGY:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HG6:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HHQ:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HH2:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:9G91:LIG:E:SO4:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGF:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HHK:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HHA:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:9I7C:LIG:F:SO4:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HG2:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGP:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HH0:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGA:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HH6:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HH3:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HG3:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGC:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HHJ:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HG9:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HH9:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HG7:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HG1:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:9I7I:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HG4:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HH5:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HHE:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGL:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HHL:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HHC:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:9GRU:LIG:F:SO4:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGW:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HG5:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGV:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGU:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HHO:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGE:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HH7:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGJ:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HG0:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGK:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGO:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HHR:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGN:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HHD:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGX:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:9I7D:LIG:G:SO4:205:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HHG:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGI:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HG8:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HHN:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGS:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HHM:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGT:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGD:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGG:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGZ:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HHF:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:9G94:LIG:F:SO4:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HH8:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HHP:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:9GRT:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGQ:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:9GRV:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGH:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:9I7B:LIG:E:SO4:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HHQ:LIG:D:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:9I7D:LIG:D:SO4:202:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HH8:LIG:D:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
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        "PDB:7HGS:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HHQ:LIG:L:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HH3:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HG3:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGL:LIG:K:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HHA:LIG:L:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HH1:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:9I7I:LIG:J:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGB:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HHR:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HHP:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGJ:LIG:K:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGI:LIG:K:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGW:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HG4:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HH5:LIG:L:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HHE:LIG:L:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGU:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGP:LIG:M:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGO:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HG7:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGC:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGT:LIG:K:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HHL:LIG:K:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HHJ:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HHN:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HHK:LIG:L:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HH7:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HHC:LIG:K:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HG9:LIG:K:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGE:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HG5:LIG:K:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HHB:LIG:K:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HHD:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGM:LIG:L:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:9I7G:LIG:I:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HHG:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HG6:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HHO:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGH:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGF:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGA:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HG2:LIG:M:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HHH:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGZ:LIG:M:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:9I7C:LIG:K:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HG8:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGN:LIG:K:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HH0:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HG0:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HH8:LIG:M:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGY:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGX:LIG:K:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HH2:LIG:K:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HH4:LIG:L:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:9GRT:LIG:N:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HHF:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:9GRT:LIG:M:SO4:103:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:9GRS:LIG:L:SO4:602:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:8Z6C:LIG:H:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:9GRU:LIG:K:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:9GRT:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:9G94:LIG:K:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:3QBY:LIG:S:SO4:95:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:8Z6C:LIG:K:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HHI:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HHQ:LIG:H:SO4:105:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:9GRT:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HH3:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGR:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGD:LIG:H:SO4:105:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HG7:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HHA:LIG:H:SO4:105:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HHB:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGX:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGE:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HHC:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGP:LIG:H:SO4:105:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HHM:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGZ:LIG:H:SO4:105:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGA:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGN:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HHH:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HHJ:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HHD:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGW:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGU:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGT:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGH:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HG0:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HG4:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HHO:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HH6:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HH9:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HH5:LIG:H:SO4:105:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HHP:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGV:LIG:H:SO4:105:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HHR:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGL:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGC:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HH7:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGO:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:9GRV:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HG6:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGQ:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGJ:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGF:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HHG:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGM:LIG:H:SO4:105:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HH4:LIG:H:SO4:105:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:9GRS:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HHE:LIG:H:SO4:105:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGK:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HHL:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HH2:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HG8:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HG3:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HH1:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HG2:LIG:H:SO4:105:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HH0:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGY:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGI:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HG1:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGB:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HH8:LIG:H:SO4:105:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HHN:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGS:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGG:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HHK:LIG:H:SO4:105:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HHF:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HG5:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HG9:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C"
      ],
      "verification_pending": false,
      "source_rule": "Domain rows use only exact domain_id; protein-level source observations never promoted to domains"
    },
    {
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "protein_id": "UP:Q7Z4V5",
      "domain_id": "UP:Q7Z4V5:PWWP1",
      "studied_compound": false,
      "measured_count": 0,
      "direct_positive_binder": false,
      "reported_probe": false,
      "reported_control": false,
      "cellular_activity": false,
      "protein_degradation": false,
      "structural_research_ligand": false,
      "structural_pdb_count": 0,
      "deposited_site_count": 608,
      "other_component": true,
      "other_component_count": 608,
      "association_only": true,
      "bioactivity_only": false,
      "assay_ids": [],
      "site_ids": [
        "PDB:9G91:LIG:F:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:8Z6C:LIG:F:SO4:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:9G96:LIG:E:SO4:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HH1:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:3QJ6:LIG:C:SO4:94:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGM:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGB:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:9I7B:LIG:D:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HHB:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:9I7G:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HH4:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HHH:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGR:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HHI:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGY:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HG6:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HHQ:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HH2:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:9G91:LIG:E:SO4:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGF:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HHK:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HHA:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:9I7C:LIG:F:SO4:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HG2:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGP:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HH0:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGA:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HH6:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HH3:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HG3:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGC:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HHJ:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HG9:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HH9:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HG7:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HG1:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:9I7I:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HG4:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HH5:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HHE:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGL:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HHL:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HHC:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:9GRU:LIG:F:SO4:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGW:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HG5:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGV:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGU:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HHO:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGE:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HH7:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGJ:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HG0:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGK:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGO:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HHR:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HGN:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
        "PDB:7HHD:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
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        "PDB:7HG8:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
        "PDB:7HGM:LIG:I:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
        "PDB:7HHF:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
        "PDB:7HHN:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
        "PDB:7HGZ:LIG:J:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:B",
        "PDB:7HH2:LIG:I:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:B",
        "PDB:7HGW:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
        "PDB:7HGL:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
        "PDB:9GRU:LIG:H:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:B",
        "PDB:7HGQ:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
        "PDB:7HH8:LIG:J:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:B",
        "PDB:9G96:LIG:K:SO4:105:.:SITE:UP:Q7Z4V5:PWWP1:B",
        "PDB:9G91:LIG:J:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:B",
        "PDB:7HHI:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGQ:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HH9:LIG:K:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HHM:LIG:K:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HG1:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGD:LIG:M:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGV:LIG:L:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGR:LIG:K:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGG:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HH6:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGK:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGS:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HHQ:LIG:L:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HH3:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HG3:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGL:LIG:K:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HHA:LIG:L:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HH1:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:9I7I:LIG:J:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGB:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HHR:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HHP:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGJ:LIG:K:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGI:LIG:K:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGW:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HG4:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HH5:LIG:L:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HHE:LIG:L:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGU:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGP:LIG:M:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGO:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HG7:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGC:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGT:LIG:K:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HHL:LIG:K:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HHJ:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HHN:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HHK:LIG:L:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HH7:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HHC:LIG:K:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HG9:LIG:K:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGE:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HG5:LIG:K:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HHB:LIG:K:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HHD:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGM:LIG:L:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:9I7G:LIG:I:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HHG:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HG6:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HHO:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGH:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGF:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGA:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HG2:LIG:M:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HHH:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGZ:LIG:M:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:9I7C:LIG:K:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HG8:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGN:LIG:K:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HH0:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HG0:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HH8:LIG:M:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGY:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGX:LIG:K:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HH2:LIG:K:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HH4:LIG:L:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:9GRT:LIG:N:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HHF:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:9GRT:LIG:M:SO4:103:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:9GRS:LIG:L:SO4:602:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:8Z6C:LIG:H:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:9GRU:LIG:K:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:9GRT:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:9G94:LIG:K:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:3QBY:LIG:S:SO4:95:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:8Z6C:LIG:K:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HHI:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HHQ:LIG:H:SO4:105:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:9GRT:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HH3:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGR:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGD:LIG:H:SO4:105:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HG7:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HHA:LIG:H:SO4:105:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HHB:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGX:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGE:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HHC:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGP:LIG:H:SO4:105:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HHM:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGZ:LIG:H:SO4:105:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGA:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGN:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HHH:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HHJ:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HHD:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGW:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGU:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGT:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGH:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HG0:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HG4:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HHO:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HH6:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HH9:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HH5:LIG:H:SO4:105:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HHP:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGV:LIG:H:SO4:105:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HHR:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGL:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGC:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HH7:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGO:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:9GRV:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HG6:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGQ:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGJ:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGF:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HHG:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGM:LIG:H:SO4:105:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HH4:LIG:H:SO4:105:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:9GRS:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HHE:LIG:H:SO4:105:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGK:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HHL:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HH2:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HG8:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HG3:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HH1:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HG2:LIG:H:SO4:105:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HH0:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGY:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGI:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HG1:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGB:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HH8:LIG:H:SO4:105:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HHN:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGS:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HGG:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HHK:LIG:H:SO4:105:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HHF:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HG5:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
        "PDB:7HG9:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C"
      ],
      "verification_pending": false,
      "source_rule": "Domain rows use only exact domain_id; protein-level source observations never promoted to domains"
    },
    {
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "protein_id": "UP:Q9UBC3",
      "domain_id": null,
      "studied_compound": false,
      "measured_count": 0,
      "direct_positive_binder": false,
      "reported_probe": false,
      "reported_control": false,
      "cellular_activity": false,
      "protein_degradation": false,
      "structural_research_ligand": false,
      "structural_pdb_count": 0,
      "deposited_site_count": 92,
      "other_component": true,
      "other_component_count": 92,
      "association_only": true,
      "bioactivity_only": false,
      "assay_ids": [],
      "site_ids": [
        "PDB:6R3E:LIG:H:SO4:502:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:6R3E:LIG:F:SO4:504:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:6R3E:LIG:E:SO4:503:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:6R3E:LIG:D:SO4:502:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:6R3E:LIG:G:SO4:501:.:SITE:UP:Q9UBC3:PWWP1:B",
        "PDB:6R3E:LIG:E:SO4:503:.:SITE:UP:Q9UBC3:PWWP1:B",
        "PDB:6R3E:LIG:H:SO4:502:.:SITE:UP:Q9UBC3:PWWP1:B",
        "PDB:6R3E:LIG:F:SO4:504:.:SITE:UP:Q9UBC3:PWWP1:B",
        "PDB:5NRV:LIG:E:SO4:403:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:5NR3:LIG:E:SO4:403:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:5NRR:LIG:E:SO4:403:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:5NV2:LIG:G:SO4:405:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:5NVO:LIG:I:SO4:407:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:5NV0:LIG:F:SO4:404:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:5NRV:LIG:K:SO4:402:.:SITE:UP:Q9UBC3:PWWP1:B",
        "PDB:5NVO:LIG:H:SO4:406:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:5NV0:LIG:H:SO4:406:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:5NR3:LIG:F:SO4:404:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:5NVO:LIG:G:SO4:405:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:5NV0:LIG:G:SO4:405:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:5NV2:LIG:H:SO4:406:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:5NR3:LIG:D:SO4:402:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:5NVO:LIG:F:SO4:404:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:5NV2:LIG:F:SO4:404:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:5NRS:LIG:D:SO4:402:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:5NRR:LIG:D:SO4:402:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:5NV0:LIG:D:SO4:402:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:5NV7:LIG:E:SO4:403:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:5NRV:LIG:N:SO4:405:.:SITE:UP:Q9UBC3:PWWP1:B",
        "PDB:5NRV:LIG:M:SO4:404:.:SITE:UP:Q9UBC3:PWWP1:B",
        "PDB:5NRV:LIG:I:SO4:407:.:SITE:UP:Q9UBC3:PWWP1:B",
        "PDB:5NV2:LIG:J:SO4:402:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:5NRR:LIG:I:SO4:403:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:5NV0:LIG:L:SO4:404:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:5NVO:LIG:K:SO4:402:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:5NV7:LIG:H:SO4:403:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:5NRS:LIG:F:SO4:401:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:5NRV:LIG:L:SO4:403:.:SITE:UP:Q9UBC3:PWWP1:B",
        "PDB:5NRV:LIG:G:SO4:405:.:SITE:UP:Q9UBC3:PWWP1:B",
        "PDB:3QKJ:LIG:N:SO4:2:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:5NV0:LIG:E:SO4:403:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:5NRR:LIG:F:SO4:404:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:5NRS:LIG:C:SO4:401:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:5NVO:LIG:E:SO4:403:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:5NV7:LIG:D:SO4:402:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:5NV2:LIG:D:SO4:402:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:3QKJ:LIG:F:SO4:3:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:5NV2:LIG:E:SO4:403:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:5NVO:LIG:D:SO4:402:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:3QKJ:LIG:G:SO4:4:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:5NVO:LIG:M:SO4:404:.:SITE:UP:Q9UBC3:PWWP1:B",
        "PDB:5NV2:LIG:L:SO4:404:.:SITE:UP:Q9UBC3:PWWP1:B",
        "PDB:5NV0:LIG:M:SO4:405:.:SITE:UP:Q9UBC3:PWWP1:B",
        "PDB:5NRS:LIG:G:SO4:402:.:SITE:UP:Q9UBC3:PWWP1:B",
        "PDB:5NV7:LIG:I:SO4:404:.:SITE:UP:Q9UBC3:PWWP1:B",
        "PDB:5NRR:LIG:H:SO4:402:.:SITE:UP:Q9UBC3:PWWP1:B",
        "PDB:5NV7:LIG:G:SO4:402:.:SITE:UP:Q9UBC3:PWWP1:B",
        "PDB:5NRS:LIG:H:SO4:403:.:SITE:UP:Q9UBC3:PWWP1:B",
        "PDB:5NV0:LIG:K:SO4:403:.:SITE:UP:Q9UBC3:PWWP1:B",
        "PDB:5NVO:LIG:L:SO4:403:.:SITE:UP:Q9UBC3:PWWP1:B",
        "PDB:5NV2:LIG:K:SO4:403:.:SITE:UP:Q9UBC3:PWWP1:B",
        "PDB:3QKJ:LIG:J:SO4:6:.:SITE:UP:Q9UBC3:PWWP1:B",
        "PDB:5NV2:LIG:H:SO4:406:.:SITE:UP:Q9UBC3:PWWP1:B",
        "PDB:5NVO:LIG:G:SO4:405:.:SITE:UP:Q9UBC3:PWWP1:B",
        "PDB:5NV0:LIG:G:SO4:405:.:SITE:UP:Q9UBC3:PWWP1:B",
        "PDB:5NV0:LIG:J:SO4:402:.:SITE:UP:Q9UBC3:PWWP1:B",
        "PDB:5NV7:LIG:E:SO4:403:.:SITE:UP:Q9UBC3:PWWP1:B",
        "PDB:5NRR:LIG:D:SO4:402:.:SITE:UP:Q9UBC3:PWWP1:B",
        "PDB:3QKJ:LIG:I:SO4:5:.:SITE:UP:Q9UBC3:PWWP1:B",
        "PDB:5NR3:LIG:D:SO4:402:.:SITE:UP:Q9UBC3:PWWP1:B",
        "PDB:5NVO:LIG:F:SO4:404:.:SITE:UP:Q9UBC3:PWWP1:B",
        "PDB:5NV2:LIG:F:SO4:404:.:SITE:UP:Q9UBC3:PWWP1:B",
        "PDB:5NRS:LIG:D:SO4:402:.:SITE:UP:Q9UBC3:PWWP1:B",
        "PDB:5NV0:LIG:D:SO4:402:.:SITE:UP:Q9UBC3:PWWP1:B",
        "PDB:5NVO:LIG:H:SO4:406:.:SITE:UP:Q9UBC3:PWWP1:B",
        "PDB:5NV0:LIG:L:SO4:404:.:SITE:UP:Q9UBC3:PWWP1:B",
        "PDB:5NRR:LIG:I:SO4:403:.:SITE:UP:Q9UBC3:PWWP1:B",
        "PDB:5NV7:LIG:H:SO4:403:.:SITE:UP:Q9UBC3:PWWP1:B",
        "PDB:5NV2:LIG:J:SO4:402:.:SITE:UP:Q9UBC3:PWWP1:B",
        "PDB:5NRS:LIG:F:SO4:401:.:SITE:UP:Q9UBC3:PWWP1:B",
        "PDB:5NVO:LIG:K:SO4:402:.:SITE:UP:Q9UBC3:PWWP1:B",
        "PDB:5NV0:LIG:H:SO4:406:.:SITE:UP:Q9UBC3:PWWP1:B",
        "PDB:5NRV:LIG:D:SO4:402:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:3QKJ:LIG:M:SO4:1:.:SITE:UP:Q9UBC3:PWWP1:D",
        "PDB:3QKJ:LIG:G:SO4:4:.:SITE:UP:Q9UBC3:PWWP1:D",
        "PDB:5NRV:LIG:F:SO4:404:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:5NRV:LIG:I:SO4:407:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:5NRV:LIG:G:SO4:405:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:3QKJ:LIG:N:SO4:2:.:SITE:UP:Q9UBC3:PWWP1:D",
        "PDB:5NRV:LIG:M:SO4:404:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:3QKJ:LIG:F:SO4:3:.:SITE:UP:Q9UBC3:PWWP1:D",
        "PDB:5NRV:LIG:H:SO4:406:.:SITE:UP:Q9UBC3:PWWP1:A"
      ],
      "verification_pending": false,
      "source_rule": "Domain rows use only exact domain_id; protein-level source observations never promoted to domains"
    },
    {
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "protein_id": "UP:Q9UBC3",
      "domain_id": "UP:Q9UBC3:PWWP1",
      "studied_compound": false,
      "measured_count": 0,
      "direct_positive_binder": false,
      "reported_probe": false,
      "reported_control": false,
      "cellular_activity": false,
      "protein_degradation": false,
      "structural_research_ligand": false,
      "structural_pdb_count": 0,
      "deposited_site_count": 92,
      "other_component": true,
      "other_component_count": 92,
      "association_only": true,
      "bioactivity_only": false,
      "assay_ids": [],
      "site_ids": [
        "PDB:6R3E:LIG:H:SO4:502:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:6R3E:LIG:F:SO4:504:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:6R3E:LIG:E:SO4:503:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:6R3E:LIG:D:SO4:502:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:6R3E:LIG:G:SO4:501:.:SITE:UP:Q9UBC3:PWWP1:B",
        "PDB:6R3E:LIG:E:SO4:503:.:SITE:UP:Q9UBC3:PWWP1:B",
        "PDB:6R3E:LIG:H:SO4:502:.:SITE:UP:Q9UBC3:PWWP1:B",
        "PDB:6R3E:LIG:F:SO4:504:.:SITE:UP:Q9UBC3:PWWP1:B",
        "PDB:5NRV:LIG:E:SO4:403:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:5NR3:LIG:E:SO4:403:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:5NRR:LIG:E:SO4:403:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:5NV2:LIG:G:SO4:405:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:5NVO:LIG:I:SO4:407:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:5NV0:LIG:F:SO4:404:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:5NRV:LIG:K:SO4:402:.:SITE:UP:Q9UBC3:PWWP1:B",
        "PDB:5NVO:LIG:H:SO4:406:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:5NV0:LIG:H:SO4:406:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:5NR3:LIG:F:SO4:404:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:5NVO:LIG:G:SO4:405:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:5NV0:LIG:G:SO4:405:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:5NV2:LIG:H:SO4:406:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:5NR3:LIG:D:SO4:402:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:5NVO:LIG:F:SO4:404:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:5NV2:LIG:F:SO4:404:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:5NRS:LIG:D:SO4:402:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:5NRR:LIG:D:SO4:402:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:5NV0:LIG:D:SO4:402:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:5NV7:LIG:E:SO4:403:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:5NRV:LIG:N:SO4:405:.:SITE:UP:Q9UBC3:PWWP1:B",
        "PDB:5NRV:LIG:M:SO4:404:.:SITE:UP:Q9UBC3:PWWP1:B",
        "PDB:5NRV:LIG:I:SO4:407:.:SITE:UP:Q9UBC3:PWWP1:B",
        "PDB:5NV2:LIG:J:SO4:402:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:5NRR:LIG:I:SO4:403:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:5NV0:LIG:L:SO4:404:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:5NVO:LIG:K:SO4:402:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:5NV7:LIG:H:SO4:403:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:5NRS:LIG:F:SO4:401:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:5NRV:LIG:L:SO4:403:.:SITE:UP:Q9UBC3:PWWP1:B",
        "PDB:5NRV:LIG:G:SO4:405:.:SITE:UP:Q9UBC3:PWWP1:B",
        "PDB:3QKJ:LIG:N:SO4:2:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:5NV0:LIG:E:SO4:403:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:5NRR:LIG:F:SO4:404:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:5NRS:LIG:C:SO4:401:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:5NVO:LIG:E:SO4:403:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:5NV7:LIG:D:SO4:402:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:5NV2:LIG:D:SO4:402:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:3QKJ:LIG:F:SO4:3:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:5NV2:LIG:E:SO4:403:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:5NVO:LIG:D:SO4:402:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:3QKJ:LIG:G:SO4:4:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:5NVO:LIG:M:SO4:404:.:SITE:UP:Q9UBC3:PWWP1:B",
        "PDB:5NV2:LIG:L:SO4:404:.:SITE:UP:Q9UBC3:PWWP1:B",
        "PDB:5NV0:LIG:M:SO4:405:.:SITE:UP:Q9UBC3:PWWP1:B",
        "PDB:5NRS:LIG:G:SO4:402:.:SITE:UP:Q9UBC3:PWWP1:B",
        "PDB:5NV7:LIG:I:SO4:404:.:SITE:UP:Q9UBC3:PWWP1:B",
        "PDB:5NRR:LIG:H:SO4:402:.:SITE:UP:Q9UBC3:PWWP1:B",
        "PDB:5NV7:LIG:G:SO4:402:.:SITE:UP:Q9UBC3:PWWP1:B",
        "PDB:5NRS:LIG:H:SO4:403:.:SITE:UP:Q9UBC3:PWWP1:B",
        "PDB:5NV0:LIG:K:SO4:403:.:SITE:UP:Q9UBC3:PWWP1:B",
        "PDB:5NVO:LIG:L:SO4:403:.:SITE:UP:Q9UBC3:PWWP1:B",
        "PDB:5NV2:LIG:K:SO4:403:.:SITE:UP:Q9UBC3:PWWP1:B",
        "PDB:3QKJ:LIG:J:SO4:6:.:SITE:UP:Q9UBC3:PWWP1:B",
        "PDB:5NV2:LIG:H:SO4:406:.:SITE:UP:Q9UBC3:PWWP1:B",
        "PDB:5NVO:LIG:G:SO4:405:.:SITE:UP:Q9UBC3:PWWP1:B",
        "PDB:5NV0:LIG:G:SO4:405:.:SITE:UP:Q9UBC3:PWWP1:B",
        "PDB:5NV0:LIG:J:SO4:402:.:SITE:UP:Q9UBC3:PWWP1:B",
        "PDB:5NV7:LIG:E:SO4:403:.:SITE:UP:Q9UBC3:PWWP1:B",
        "PDB:5NRR:LIG:D:SO4:402:.:SITE:UP:Q9UBC3:PWWP1:B",
        "PDB:3QKJ:LIG:I:SO4:5:.:SITE:UP:Q9UBC3:PWWP1:B",
        "PDB:5NR3:LIG:D:SO4:402:.:SITE:UP:Q9UBC3:PWWP1:B",
        "PDB:5NVO:LIG:F:SO4:404:.:SITE:UP:Q9UBC3:PWWP1:B",
        "PDB:5NV2:LIG:F:SO4:404:.:SITE:UP:Q9UBC3:PWWP1:B",
        "PDB:5NRS:LIG:D:SO4:402:.:SITE:UP:Q9UBC3:PWWP1:B",
        "PDB:5NV0:LIG:D:SO4:402:.:SITE:UP:Q9UBC3:PWWP1:B",
        "PDB:5NVO:LIG:H:SO4:406:.:SITE:UP:Q9UBC3:PWWP1:B",
        "PDB:5NV0:LIG:L:SO4:404:.:SITE:UP:Q9UBC3:PWWP1:B",
        "PDB:5NRR:LIG:I:SO4:403:.:SITE:UP:Q9UBC3:PWWP1:B",
        "PDB:5NV7:LIG:H:SO4:403:.:SITE:UP:Q9UBC3:PWWP1:B",
        "PDB:5NV2:LIG:J:SO4:402:.:SITE:UP:Q9UBC3:PWWP1:B",
        "PDB:5NRS:LIG:F:SO4:401:.:SITE:UP:Q9UBC3:PWWP1:B",
        "PDB:5NVO:LIG:K:SO4:402:.:SITE:UP:Q9UBC3:PWWP1:B",
        "PDB:5NV0:LIG:H:SO4:406:.:SITE:UP:Q9UBC3:PWWP1:B",
        "PDB:5NRV:LIG:D:SO4:402:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:3QKJ:LIG:M:SO4:1:.:SITE:UP:Q9UBC3:PWWP1:D",
        "PDB:3QKJ:LIG:G:SO4:4:.:SITE:UP:Q9UBC3:PWWP1:D",
        "PDB:5NRV:LIG:F:SO4:404:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:5NRV:LIG:I:SO4:407:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:5NRV:LIG:G:SO4:405:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:3QKJ:LIG:N:SO4:2:.:SITE:UP:Q9UBC3:PWWP1:D",
        "PDB:5NRV:LIG:M:SO4:404:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:3QKJ:LIG:F:SO4:3:.:SITE:UP:Q9UBC3:PWWP1:D",
        "PDB:5NRV:LIG:H:SO4:406:.:SITE:UP:Q9UBC3:PWWP1:A"
      ],
      "verification_pending": false,
      "source_rule": "Domain rows use only exact domain_id; protein-level source observations never promoted to domains"
    },
    {
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "protein_id": "UP:Q9ULD4",
      "domain_id": null,
      "studied_compound": false,
      "measured_count": 0,
      "direct_positive_binder": false,
      "reported_probe": false,
      "reported_control": false,
      "cellular_activity": false,
      "protein_degradation": false,
      "structural_research_ligand": false,
      "structural_pdb_count": 0,
      "deposited_site_count": 1,
      "other_component": true,
      "other_component_count": 1,
      "association_only": true,
      "bioactivity_only": false,
      "assay_ids": [],
      "site_ids": [
        "PDB:3PFS:LIG:D:SO4:1300:.:SITE:UP:Q9ULD4:PWWP1:A"
      ],
      "verification_pending": false,
      "source_rule": "Domain rows use only exact domain_id; protein-level source observations never promoted to domains"
    },
    {
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "protein_id": "UP:Q9ULD4",
      "domain_id": "UP:Q9ULD4:PWWP1",
      "studied_compound": false,
      "measured_count": 0,
      "direct_positive_binder": false,
      "reported_probe": false,
      "reported_control": false,
      "cellular_activity": false,
      "protein_degradation": false,
      "structural_research_ligand": false,
      "structural_pdb_count": 0,
      "deposited_site_count": 1,
      "other_component": true,
      "other_component_count": 1,
      "association_only": true,
      "bioactivity_only": false,
      "assay_ids": [],
      "site_ids": [
        "PDB:3PFS:LIG:D:SO4:1300:.:SITE:UP:Q9ULD4:PWWP1:A"
      ],
      "verification_pending": false,
      "source_rule": "Domain rows use only exact domain_id; protein-level source observations never promoted to domains"
    },
    {
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "protein_id": "UP:Q9ULU4",
      "domain_id": null,
      "studied_compound": false,
      "measured_count": 0,
      "direct_positive_binder": false,
      "reported_probe": false,
      "reported_control": false,
      "cellular_activity": false,
      "protein_degradation": false,
      "structural_research_ligand": false,
      "structural_pdb_count": 0,
      "deposited_site_count": 7,
      "other_component": true,
      "other_component_count": 7,
      "association_only": true,
      "bioactivity_only": false,
      "assay_ids": [],
      "site_ids": [
        "PDB:5Y1Z:LIG:E:SO4:201:.:SITE:UP:Q9ULU4:PWWP1:C",
        "PDB:5Y1Z:LIG:J:SO4:505:.:SITE:UP:Q9ULU4:PWWP1:C",
        "PDB:5Y1Z:LIG:J:SO4:505:.:SITE:UP:Q9ULU4:PWWP1:D",
        "PDB:5Y1Z:LIG:K:SO4:506:.:SITE:UP:Q9ULU4:PWWP1:C",
        "PDB:5Y1Z:LIG:I:SO4:504:.:SITE:UP:Q9ULU4:PWWP1:C",
        "PDB:5Y1Z:LIG:O:SO4:504:.:SITE:UP:Q9ULU4:PWWP1:D",
        "PDB:5Y1Z:LIG:P:SO4:505:.:SITE:UP:Q9ULU4:PWWP1:D"
      ],
      "verification_pending": false,
      "source_rule": "Domain rows use only exact domain_id; protein-level source observations never promoted to domains"
    },
    {
      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "protein_id": "UP:Q9ULU4",
      "domain_id": "UP:Q9ULU4:PWWP1",
      "studied_compound": false,
      "measured_count": 0,
      "direct_positive_binder": false,
      "reported_probe": false,
      "reported_control": false,
      "cellular_activity": false,
      "protein_degradation": false,
      "structural_research_ligand": false,
      "structural_pdb_count": 0,
      "deposited_site_count": 7,
      "other_component": true,
      "other_component_count": 7,
      "association_only": true,
      "bioactivity_only": false,
      "assay_ids": [],
      "site_ids": [
        "PDB:5Y1Z:LIG:E:SO4:201:.:SITE:UP:Q9ULU4:PWWP1:C",
        "PDB:5Y1Z:LIG:J:SO4:505:.:SITE:UP:Q9ULU4:PWWP1:C",
        "PDB:5Y1Z:LIG:J:SO4:505:.:SITE:UP:Q9ULU4:PWWP1:D",
        "PDB:5Y1Z:LIG:K:SO4:506:.:SITE:UP:Q9ULU4:PWWP1:C",
        "PDB:5Y1Z:LIG:I:SO4:504:.:SITE:UP:Q9ULU4:PWWP1:C",
        "PDB:5Y1Z:LIG:O:SO4:504:.:SITE:UP:Q9ULU4:PWWP1:D",
        "PDB:5Y1Z:LIG:P:SO4:505:.:SITE:UP:Q9ULU4:PWWP1:D"
      ],
      "verification_pending": false,
      "source_rule": "Domain rows use only exact domain_id; protein-level source observations never promoted to domains"
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        "PDB:1KHC:LIG:I:UNX:170:.:SITE:UP:O88509:PWWP1:A",
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      "verification_pending": true,
      "source_rule": "Domain rows use only exact domain_id; protein-level source observations never promoted to domains"
    },
    {
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      "verification_pending": true,
      "source_rule": "Domain rows use only exact domain_id; protein-level source observations never promoted to domains"
    },
    {
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      "source_rule": "Domain rows use only exact domain_id; protein-level source observations never promoted to domains"
    },
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      "verification_pending": true,
      "source_rule": "Domain rows use only exact domain_id; protein-level source observations never promoted to domains"
    },
    {
      "compound_id": "CCD_UNRESOLVED:UNX",
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        "PDB:5VC8:LIG:EA:UNX:405:.:SITE:UP:O96028:PWWP1:B",
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        "PDB:6UE6:LIG:T:UNX:2002:.:SITE:UP:O96028:PWWP1:A",
        "PDB:5VC8:LIG:U:UNX:415:.:SITE:UP:O96028:PWWP1:A",
        "PDB:5VC8:LIG:G:UNX:401:.:SITE:UP:O96028:PWWP1:A",
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        "PDB:6UE6:LIG:J:UNX:2002:.:SITE:UP:O96028:PWWP1:A",
        "PDB:5VC8:LIG:V:UNX:416:.:SITE:UP:O96028:PWWP1:A",
        "PDB:5VC8:LIG:M:UNX:407:.:SITE:UP:O96028:PWWP1:A",
        "PDB:5VC8:LIG:Q:UNX:411:.:SITE:UP:O96028:PWWP1:A",
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        "PDB:5VC8:LIG:DA:UNX:404:.:SITE:UP:O96028:PWWP1:A",
        "PDB:6UE6:LIG:P:UNX:2008:.:SITE:UP:O96028:PWWP1:A",
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        "PDB:5VC8:LIG:L:UNX:406:.:SITE:UP:O96028:PWWP1:A",
        "PDB:5VC8:LIG:O:UNX:409:.:SITE:UP:O96028:PWWP1:A",
        "PDB:7LMT:LIG:J:UNX:402:.:SITE:UP:O96028:PWWP1:A",
        "PDB:7MDN:LIG:J:UNX:402:.:SITE:UP:O96028:PWWP1:A",
        "PDB:5VC8:LIG:Y:UNX:419:.:SITE:UP:O96028:PWWP1:A",
        "PDB:5VC8:LIG:KA:UNX:411:.:SITE:UP:O96028:PWWP1:A",
        "PDB:5VC8:LIG:J:UNX:404:.:SITE:UP:O96028:PWWP1:A",
        "PDB:5VC8:LIG:I:UNX:403:.:SITE:UP:O96028:PWWP1:A",
        "PDB:6UE6:LIG:W:UNX:2005:.:SITE:UP:O96028:PWWP1:B",
        "PDB:6UE6:LIG:DA:UNX:2012:.:SITE:UP:O96028:PWWP1:B",
        "PDB:6XCG:LIG:F:UNX:402:.:SITE:UP:O96028:PWWP1:B",
        "PDB:5VC8:LIG:W:UNX:417:.:SITE:UP:O96028:PWWP1:B",
        "PDB:5VC8:LIG:DA:UNX:404:.:SITE:UP:O96028:PWWP1:B",
        "PDB:5VC8:LIG:G:UNX:401:.:SITE:UP:O96028:PWWP1:B",
        "PDB:6UE6:LIG:X:UNX:2006:.:SITE:UP:O96028:PWWP1:B",
        "PDB:5VC8:LIG:KA:UNX:411:.:SITE:UP:O96028:PWWP1:B",
        "PDB:5VC8:LIG:JA:UNX:410:.:SITE:UP:O96028:PWWP1:B",
        "PDB:5VC8:LIG:GA:UNX:407:.:SITE:UP:O96028:PWWP1:B",
        "PDB:5VC8:LIG:HA:UNX:408:.:SITE:UP:O96028:PWWP1:B",
        "PDB:5VC8:LIG:H:UNX:402:.:SITE:UP:O96028:PWWP1:B",
        "PDB:6UE6:LIG:V:UNX:2004:.:SITE:UP:O96028:PWWP1:B",
        "PDB:6UE6:LIG:Z:UNX:2008:.:SITE:UP:O96028:PWWP1:B",
        "PDB:5VC8:LIG:PA:UNX:416:.:SITE:UP:O96028:PWWP1:B",
        "PDB:6UE6:LIG:Y:UNX:2007:.:SITE:UP:O96028:PWWP1:B",
        "PDB:6UE6:LIG:AA:UNX:2009:.:SITE:UP:O96028:PWWP1:B",
        "PDB:6UE6:LIG:U:UNX:2003:.:SITE:UP:O96028:PWWP1:B",
        "PDB:5VC8:LIG:AA:UNX:401:.:SITE:UP:O96028:PWWP1:B",
        "PDB:5VC8:LIG:CA:UNX:403:.:SITE:UP:O96028:PWWP1:B",
        "PDB:6UE6:LIG:BA:UNX:2010:.:SITE:UP:O96028:PWWP1:B",
        "PDB:5VC8:LIG:FA:UNX:406:.:SITE:UP:O96028:PWWP1:B",
        "PDB:6XCG:LIG:H:UNX:404:.:SITE:UP:O96028:PWWP1:B",
        "PDB:5VC8:LIG:SA:UNX:419:.:SITE:UP:O96028:PWWP1:B",
        "PDB:6XCG:LIG:G:UNX:403:.:SITE:UP:O96028:PWWP1:B",
        "PDB:5VC8:LIG:MA:UNX:413:.:SITE:UP:O96028:PWWP1:B",
        "PDB:6UE6:LIG:T:UNX:2002:.:SITE:UP:O96028:PWWP1:B",
        "PDB:6UE6:LIG:M:UNX:2005:.:SITE:UP:O96028:PWWP1:B",
        "PDB:5VC8:LIG:QA:UNX:417:.:SITE:UP:O96028:PWWP1:B",
        "PDB:5VC8:LIG:NA:UNX:414:.:SITE:UP:O96028:PWWP1:B",
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        "PDB:6UE6:LIG:Y:UNX:2007:.:SITE:UP:O96028:PWWP1:C",
        "PDB:6UE6:LIG:HA:UNX:2004:.:SITE:UP:O96028:PWWP1:C",
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        "PDB:6UE6:LIG:MA:UNX:2003:.:SITE:UP:O96028:PWWP1:C",
        "PDB:6UE6:LIG:FA:UNX:2002:.:SITE:UP:O96028:PWWP1:C",
        "PDB:6XCG:LIG:H:UNX:404:.:SITE:UP:O96028:PWWP1:C",
        "PDB:6XCG:LIG:K:UNX:403:.:SITE:UP:O96028:PWWP1:C",
        "PDB:6UE6:LIG:AA:UNX:2009:.:SITE:UP:O96028:PWWP1:C",
        "PDB:6UE6:LIG:X:UNX:2006:.:SITE:UP:O96028:PWWP1:C",
        "PDB:6UE6:LIG:NA:UNX:2004:.:SITE:UP:O96028:PWWP1:D",
        "PDB:7LMT:LIG:O:UNX:402:.:SITE:UP:O96028:PWWP1:D",
        "PDB:7MDN:LIG:O:UNX:402:.:SITE:UP:O96028:PWWP1:D",
        "PDB:6UE6:LIG:MA:UNX:2003:.:SITE:UP:O96028:PWWP1:D",
        "PDB:6UE6:LIG:FA:UNX:2002:.:SITE:UP:O96028:PWWP1:D",
        "PDB:6UE6:LIG:IA:UNX:2005:.:SITE:UP:O96028:PWWP1:D",
        "PDB:6UE6:LIG:LA:UNX:2002:.:SITE:UP:O96028:PWWP1:D",
        "PDB:6UE6:LIG:PA:UNX:2002:.:SITE:UP:O96028:PWWP1:E",
        "PDB:6UE6:LIG:QA:UNX:2003:.:SITE:UP:O96028:PWWP1:E",
        "PDB:7LMT:LIG:O:UNX:402:.:SITE:UP:O96028:PWWP1:E",
        "PDB:7MDN:LIG:O:UNX:402:.:SITE:UP:O96028:PWWP1:E",
        "PDB:6UE6:LIG:RA:UNX:2004:.:SITE:UP:O96028:PWWP1:E",
        "PDB:6UE6:LIG:TA:UNX:2006:.:SITE:UP:O96028:PWWP1:E",
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        "PDB:6UE6:LIG:VA:UNX:2002:.:SITE:UP:O96028:PWWP1:F",
        "PDB:7MDN:LIG:J:UNX:402:.:SITE:UP:O96028:PWWP1:F",
        "PDB:7LMT:LIG:J:UNX:402:.:SITE:UP:O96028:PWWP1:F",
        "PDB:6UE6:LIG:WA:UNX:2003:.:SITE:UP:O96028:PWWP1:F",
        "PDB:6UE6:LIG:TA:UNX:2006:.:SITE:UP:O96028:PWWP1:F",
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      "verification_pending": true,
      "source_rule": "Domain rows use only exact domain_id; protein-level source observations never promoted to domains"
    },
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    {
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    },
    {
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    },
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        "PDB:8EIH:LIG:M:ZN:904:.:SITE:UP:Q9UBC3:PWWP1:B",
        "PDB:8EII:LIG:L:ZN:904:.:SITE:UP:Q9UBC3:PWWP1:B",
        "PDB:8EIJ:LIG:K:ZN:904:.:SITE:UP:Q9UBC3:PWWP1:B",
        "PDB:8EIH:LIG:N:ZN:901:.:SITE:UP:Q9UBC3:PWWP1:C",
        "PDB:8EII:LIG:M:ZN:901:.:SITE:UP:Q9UBC3:PWWP1:C",
        "PDB:8EIK:LIG:P:ZN:902:.:SITE:UP:Q9UBC3:PWWP1:D",
        "PDB:8EII:LIG:N:ZN:902:.:SITE:UP:Q9UBC3:PWWP1:C",
        "PDB:8EIH:LIG:O:ZN:902:.:SITE:UP:Q9UBC3:PWWP1:C",
        "PDB:8EIK:LIG:Q:ZN:903:.:SITE:UP:Q9UBC3:PWWP1:D",
        "PDB:8EII:LIG:O:ZN:903:.:SITE:UP:Q9UBC3:PWWP1:C",
        "PDB:8EIH:LIG:P:ZN:903:.:SITE:UP:Q9UBC3:PWWP1:C",
        "PDB:8EIK:LIG:R:ZN:904:.:SITE:UP:Q9UBC3:PWWP1:D",
        "PDB:8EIH:LIG:Q:ZN:901:.:SITE:UP:Q9UBC3:PWWP1:D",
        "PDB:8EIH:LIG:R:ZN:902:.:SITE:UP:Q9UBC3:PWWP1:D",
        "PDB:8EIH:LIG:S:ZN:903:.:SITE:UP:Q9UBC3:PWWP1:D",
        "PDB:8EIK:LIG:S:ZN:901:.:SITE:UP:Q9UBC3:PWWP1:E",
        "PDB:8EIK:LIG:T:ZN:902:.:SITE:UP:Q9UBC3:PWWP1:E",
        "PDB:8EIK:LIG:U:ZN:903:.:SITE:UP:Q9UBC3:PWWP1:E",
        "PDB:9E0G:LIG:E:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:9E2D:LIG:LA:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:U",
        "PDB:9E05:LIG:LA:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:W",
        "PDB:9E2R:LIG:LA:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:W",
        "PDB:9E00:LIG:IA:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:W",
        "PDB:9E3R:LIG:LA:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:W",
        "PDB:9E2Q:LIG:LA:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:W",
        "PDB:9E0G:LIG:F:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:9E2D:LIG:MA:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:U",
        "PDB:9E3R:LIG:MA:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:W",
        "PDB:9E2R:LIG:MA:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:W",
        "PDB:9E2Q:LIG:MA:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:W",
        "PDB:9E05:LIG:MA:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:W",
        "PDB:9E00:LIG:JA:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:W",
        "PDB:9E0G:LIG:G:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:9E2D:LIG:NA:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:U",
        "PDB:9E3R:LIG:NA:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:W",
        "PDB:9E2R:LIG:NA:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:W",
        "PDB:9E2Q:LIG:NA:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:W",
        "PDB:9E05:LIG:NA:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:W",
        "PDB:9E00:LIG:KA:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:W",
        "PDB:9Q7U:LIG:O:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:K",
        "PDB:9E0F:LIG:E:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:9E3U:LIG:P:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:L",
        "PDB:9E2D:LIG:AA:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:Q",
        "PDB:9E3R:LIG:AA:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:S",
        "PDB:9E2R:LIG:AA:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:S",
        "PDB:9E3D:LIG:W:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:S",
        "PDB:9E2Q:LIG:AA:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:S",
        "PDB:9E05:LIG:AA:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:S",
        "PDB:9E00:LIG:AA:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:S",
        "PDB:9Q7U:LIG:P:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:K",
        "PDB:9E0F:LIG:F:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:9E3U:LIG:Q:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:L",
        "PDB:9E2D:LIG:BA:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:Q",
        "PDB:9E2R:LIG:BA:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:S",
        "PDB:9E3D:LIG:X:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:S",
        "PDB:9E3R:LIG:BA:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:S",
        "PDB:9E2Q:LIG:BA:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:S",
        "PDB:9E05:LIG:BA:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:S",
        "PDB:9E00:LIG:BA:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:S",
        "PDB:9Q7U:LIG:Q:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:K",
        "PDB:9E0F:LIG:G:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:A",
        "PDB:9E3U:LIG:R:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:L",
        "PDB:9E2D:LIG:CA:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:Q",
        "PDB:9E3R:LIG:CA:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:S",
        "PDB:9E3D:LIG:Y:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:S",
        "PDB:9E2R:LIG:CA:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:S",
        "PDB:9E2Q:LIG:CA:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:S",
        "PDB:9E05:LIG:CA:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:S",
        "PDB:9E00:LIG:CA:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:S",
        "PDB:9Y4P:LIG:AA:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:S",
        "PDB:9Y4P:LIG:BA:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:S",
        "PDB:9Y4P:LIG:CA:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:S",
        "PDB:9Y4P:LIG:LA:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:W",
        "PDB:9Y4P:LIG:MA:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:W",
        "PDB:9Y4P:LIG:NA:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:W"
      ],
      "verification_pending": true,
      "source_rule": "Domain rows use only exact domain_id; protein-level source observations never promoted to domains"
    },
    {
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
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      "other_component_count": 0,
      "association_only": true,
      "bioactivity_only": false,
      "assay_ids": [],
      "site_ids": [
        "PDB:3PFS:LIG:C:ZN:1200:.:SITE:UP:Q9ULD4:PWWP1:A",
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      "verification_pending": true,
      "source_rule": "Domain rows use only exact domain_id; protein-level source observations never promoted to domains"
    },
    {
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "protein_id": "UP:Q9ULD4",
      "domain_id": "UP:Q9ULD4:PWWP1",
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      "direct_positive_binder": false,
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      "association_only": true,
      "bioactivity_only": false,
      "assay_ids": [],
      "site_ids": [
        "PDB:3PFS:LIG:C:ZN:1200:.:SITE:UP:Q9ULD4:PWWP1:A",
        "PDB:3PFS:LIG:E:ZN:1200:.:SITE:UP:Q9ULD4:PWWP1:B"
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      "verification_pending": true,
      "source_rule": "Domain rows use only exact domain_id; protein-level source observations never promoted to domains"
    },
    {
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
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      "other_component_count": 0,
      "association_only": true,
      "bioactivity_only": false,
      "assay_ids": [],
      "site_ids": [
        "PDB:4COS:LIG:D:ZN:1402:.:SITE:UP:Q9ULU4:PWWP1:A",
        "PDB:9T2F:LIG:D:ZN:503:.:SITE:UP:Q9ULU4:PWWP1:A",
        "PDB:9T2G:LIG:D:ZN:503:.:SITE:UP:Q9ULU4:PWWP1:A",
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        "PDB:4COS:LIG:C:ZN:1401:.:SITE:UP:Q9ULU4:PWWP1:A",
        "PDB:9T2G:LIG:C:ZN:502:.:SITE:UP:Q9ULU4:PWWP1:A",
        "PDB:9T2F:LIG:C:ZN:502:.:SITE:UP:Q9ULU4:PWWP1:A",
        "PDB:5Y1Z:LIG:H:ZN:503:.:SITE:UP:Q9ULU4:PWWP1:C",
        "PDB:5Y1Z:LIG:M:ZN:502:.:SITE:UP:Q9ULU4:PWWP1:C",
        "PDB:5Y1Z:LIG:F:ZN:501:.:SITE:UP:Q9ULU4:PWWP1:C",
        "PDB:5Y1Z:LIG:L:ZN:501:.:SITE:UP:Q9ULU4:PWWP1:D",
        "PDB:5Y1Z:LIG:M:ZN:502:.:SITE:UP:Q9ULU4:PWWP1:D",
        "PDB:4COS:LIG:B:ZN:1400:.:SITE:UP:Q9ULU4:PWWP1:A",
        "PDB:9T2F:LIG:E:ZN:504:.:SITE:UP:Q9ULU4:PWWP1:A",
        "PDB:9T2G:LIG:B:ZN:501:.:SITE:UP:Q9ULU4:PWWP1:A",
        "PDB:5B73:LIG:B:ZN:501:.:SITE:UP:Q9ULU4:PWWP1:A",
        "PDB:5Y1Z:LIG:G:ZN:502:.:SITE:UP:Q9ULU4:PWWP1:C",
        "PDB:5Y1Z:LIG:N:ZN:503:.:SITE:UP:Q9ULU4:PWWP1:D"
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      "verification_pending": true,
      "source_rule": "Domain rows use only exact domain_id; protein-level source observations never promoted to domains"
    },
    {
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
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      "domain_id": "UP:Q9ULU4:PWWP1",
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      "bioactivity_only": false,
      "assay_ids": [],
      "site_ids": [
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        "PDB:4COS:LIG:C:ZN:1401:.:SITE:UP:Q9ULU4:PWWP1:A",
        "PDB:9T2G:LIG:C:ZN:502:.:SITE:UP:Q9ULU4:PWWP1:A",
        "PDB:9T2F:LIG:C:ZN:502:.:SITE:UP:Q9ULU4:PWWP1:A",
        "PDB:5Y1Z:LIG:H:ZN:503:.:SITE:UP:Q9ULU4:PWWP1:C",
        "PDB:5Y1Z:LIG:M:ZN:502:.:SITE:UP:Q9ULU4:PWWP1:C",
        "PDB:5Y1Z:LIG:F:ZN:501:.:SITE:UP:Q9ULU4:PWWP1:C",
        "PDB:5Y1Z:LIG:L:ZN:501:.:SITE:UP:Q9ULU4:PWWP1:D",
        "PDB:5Y1Z:LIG:M:ZN:502:.:SITE:UP:Q9ULU4:PWWP1:D",
        "PDB:4COS:LIG:B:ZN:1400:.:SITE:UP:Q9ULU4:PWWP1:A",
        "PDB:9T2F:LIG:E:ZN:504:.:SITE:UP:Q9ULU4:PWWP1:A",
        "PDB:9T2G:LIG:B:ZN:501:.:SITE:UP:Q9ULU4:PWWP1:A",
        "PDB:5B73:LIG:B:ZN:501:.:SITE:UP:Q9ULU4:PWWP1:A",
        "PDB:5Y1Z:LIG:G:ZN:502:.:SITE:UP:Q9ULU4:PWWP1:C",
        "PDB:5Y1Z:LIG:N:ZN:503:.:SITE:UP:Q9ULU4:PWWP1:D"
      ],
      "verification_pending": true,
      "source_rule": "Domain rows use only exact domain_id; protein-level source observations never promoted to domains"
    },
    {
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
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      "protein_degradation": false,
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      "other_component_count": 0,
      "association_only": true,
      "bioactivity_only": false,
      "assay_ids": [],
      "site_ids": [
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        "PDB:11OA:LIG:S:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:A",
        "PDB:11OI:LIG:P:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:E",
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        "PDB:9PRW:LIG:H:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:A",
        "PDB:11OI:LIG:R:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:E",
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        "PDB:11OA:LIG:W:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:B",
        "PDB:11OH:LIG:N:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:D",
        "PDB:11OI:LIG:T:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:F",
        "PDB:11NZ:LIG:N:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:B",
        "PDB:11OA:LIG:X:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:B",
        "PDB:11OH:LIG:O:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:D",
        "PDB:11OI:LIG:U:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:F",
        "PDB:11NZ:LIG:O:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:B",
        "PDB:11OA:LIG:Y:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:B",
        "PDB:11OH:LIG:P:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:D",
        "PDB:11OI:LIG:V:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:F",
        "PDB:11OI:LIG:H:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:A",
        "PDB:11OH:LIG:F:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:B",
        "PDB:11NZ:LIG:P:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:C",
        "PDB:11OA:LIG:BA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:C",
        "PDB:11OI:LIG:I:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:A",
        "PDB:11OH:LIG:G:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:B",
        "PDB:11NZ:LIG:Q:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:C",
        "PDB:11OA:LIG:CA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:C",
        "PDB:11OI:LIG:J:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:A",
        "PDB:11OH:LIG:H:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:B",
        "PDB:11OA:LIG:DA:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:C",
        "PDB:11NZ:LIG:R:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:C",
        "PDB:11OH:LIG:J:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:C",
        "PDB:9PRW:LIG:P:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:D",
        "PDB:11OA:LIG:EA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:D",
        "PDB:11NZ:LIG:T:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:D",
        "PDB:11OI:LIG:L:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:D",
        "PDB:9MPO:LIG:M:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:D",
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        "PDB:9Y4P:LIG:PA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:Y",
        "PDB:9Y4P:LIG:QA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:Y"
      ],
      "verification_pending": true,
      "source_rule": "Domain rows use only exact domain_id; protein-level source observations never promoted to domains"
    },
    {
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "protein_id": "UP:Q9Y6K1",
      "domain_id": "UP:Q9Y6K1:PWWP1",
      "studied_compound": false,
      "measured_count": 0,
      "direct_positive_binder": false,
      "reported_probe": false,
      "reported_control": false,
      "cellular_activity": false,
      "protein_degradation": false,
      "structural_research_ligand": false,
      "structural_pdb_count": 0,
      "deposited_site_count": 243,
      "other_component": false,
      "other_component_count": 0,
      "association_only": true,
      "bioactivity_only": false,
      "assay_ids": [],
      "site_ids": [
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        "PDB:9E3R:LIG:EA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:U",
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        "PDB:9E0F:LIG:J:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:C",
        "PDB:9MP0:LIG:OA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:H",
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        "PDB:9E2D:LIG:FA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:S",
        "PDB:9E05:LIG:FA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:U",
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