{
  "version": {
    "version": "phase5-1.0.0",
    "date": "2026-10-26",
    "frozen_database_sha256": "0c53107a39e222b48611302b21fda5fb4ed50b190b6b39d41423ccc5ca5958f6",
    "chemical_identities": 148,
    "profiles": 163,
    "relevant_profiles": 132,
    "preparations": 30,
    "observations": 80,
    "frozen_observations": 46,
    "new_observations": 34,
    "bioactivity_only_profiles": 21,
    "exact_PWWP_structural_profiles": 130,
    "verified_depictions": 139,
    "reconciled_duplicate_rows": 0,
    "candidate_records": 150,
    "curated_scope": "Documented targeted snapshot; not an exhaustive inventory of all literature compounds. Coordinate proximity and assay measurements are independent evidence dimensions."
  },
  "filters": {
    "q": "",
    "protein": "",
    "domain": "UP:Q9ULU4:PWWP1",
    "bound": "",
    "pdb": "",
    "identity": "",
    "role": "",
    "method": "",
    "endpoint": "",
    "relation": "",
    "potency_min": "",
    "potency_max": "",
    "source": "",
    "year": "",
    "organism": "",
    "construct": "",
    "status": "",
    "missing": "",
    "scope": "relevant",
    "view": "unresolved",
    "sort": ""
  },
  "compounds": [
    {
      "aliases": [
        "ZINC ION"
      ],
      "assay_count": 0,
      "associated_pdb_ids": [
        "11NZ",
        "11OA",
        "11OH",
        "11OI",
        "3PFS",
        "4COS",
        "4N4G",
        "4N4H",
        "4N4I",
        "4NS5",
        "5B73",
        "5Y1Z",
        "7CRO",
        "7CRP",
        "7CRQ",
        "7CRR",
        "7OUF",
        "7OUG",
        "7OUH",
        "7PEL",
        "8EIH",
        "8EII",
        "8EIJ",
        "8EIK",
        "9E00",
        "9E05",
        "9E0F",
        "9E0G",
        "9E2D",
        "9E2Q",
        "9E2R",
        "9E3D",
        "9E3R",
        "9E3U",
        "9LQ1",
        "9MP0",
        "9MPO",
        "9MPP",
        "9PRW",
        "9Q7U",
        "9S28",
        "9S29",
        "9T2F",
        "9T2G",
        "9Y4P",
        "9Y61"
      ],
      "bound_structure_count": 10,
      "category": "Structure-supported identity",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "classifications": [],
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "curation_version": "phase5-1.0.0",
      "depiction": {
        "calculated_HBA": 0,
        "calculated_HBD": 0,
        "calculated_TPSA": 0.0,
        "calculated_formula": "Zn+2",
        "calculated_logP": -0.0025,
        "calculated_molecular_weight": 65.39,
        "computed_inchikey": "PTFCDOFLOPIGGS-UHFFFAOYSA-N",
        "descriptor_scope": "RDKit calculation for the source identity; not an experimental measurement",
        "files": {
          "dark": "1d062bf1026ebf430b2a-dark.svg",
          "light": "1d062bf1026ebf430b2a-light.svg"
        },
        "rdkit_version": "2025.09.3",
        "status": "verified_smiles_full_inchikey_match"
      },
      "development_status": "Not independently curated",
      "domain_ids": [
        "UP:Q15326:PWWP1",
        "UP:Q8R5C8:PWWP1",
        "UP:Q9ULD4:PWWP1",
        "UP:Q9ULU4:PWWP1"
      ],
      "entity_kind": "chemical_identity",
      "genes": [
        "BRPF3",
        "ZMYND11",
        "ZMYND8",
        "Zmynd11"
      ],
      "has_bioactivity_only": false,
      "has_source_conflict": false,
      "identity": {
        "aliases": [
          "ZINC ION"
        ],
        "ccd_ids": [
          "ZN"
        ],
        "ccd_names": "[\"ZINC ION\"]",
        "ccd_types": "[\"non-polymer\"]",
        "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
        "connectivity_block": "PTFCDOFLOPIGGS",
        "curated_source_sha256": null,
        "curation_version": "frozen-v1.2",
        "external_identifiers": {},
        "formal_charge_by_ccd": "{\"ZN\": 2}",
        "formulae": "[\"Zn\"]",
        "geometry_note": "CCD ideal SDF is a reference chemical geometry, not a deposited bound pose.",
        "identity_status": "complete_deposited_InChIKey",
        "inchikey": "PTFCDOFLOPIGGS-UHFFFAOYSA-N",
        "inventory_origin": "v1_CCD_inventory",
        "isomeric_smiles": "[Zn+2]",
        "primary_name": "ZINC ION",
        "retrieval_date": "2026-10-24",
        "smiles_stereo_by_ccd": "{\"ZN\": \"[Zn+2]\"}",
        "source_metadata_sha256": "{\"ZN\": \"1c14113a1e548349dad66cb5b6c42ed790238cef31d7894324afbc6d2e78760b\"}",
        "source_urls": [
          "https://www.rcsb.org/ligand/ZN"
        ]
      },
      "identity_note": "complete_deposited_InChIKey",
      "identity_resolved": true,
      "is_control": false,
      "is_probe": false,
      "measured_observation_count": 0,
      "name": "ZINC ION",
      "negative_count": 0,
      "observation_ids": [],
      "pdb_structure_count": 46,
      "preparation_count": 0,
      "preparation_ids": [],
      "protein_ids": [
        "UP:Q15326",
        "UP:Q8R5C8",
        "UP:Q9ULD4",
        "UP:Q9ULU4"
      ],
      "relationships": [],
      "relevant": false,
      "search_text": "zinc ion inchikey:ptfcdoflopiggs-uhfffaoysa-n zinc ion brpf3 zmynd11 zmynd8 zmynd11 up:q15326:pwwp1 up:q8r5c8:pwwp1 up:q9uld4:pwwp1 up:q9ulu4:pwwp1 11nz 11oa 11oh 11oi 3pfs 4cos 4n4g 4n4h 4n4i 4ns5 5b73 5y1z 7cro 7crp 7crq 7crr 7ouf 7oug 7ouh 7pel 8eih 8eii 8eij 8eik 9e00 9e05 9e0f 9e0g 9e2d 9e2q 9e2r 9e3d 9e3r 9e3u 9lq1 9mp0 9mpo 9mpp 9prw 9q7u 9s28 9s29 9t2f 9t2g 9y4p 9y61 {\"aliases\":[\"zinc ion\"],\"ccd_ids\":[\"zn\"],\"ccd_names\":\"[\\\"zinc ion\\\"]\",\"ccd_types\":\"[\\\"non-polymer\\\"]\",\"chemical_id\":\"inchikey:ptfcdoflopiggs-uhfffaoysa-n\",\"connectivity_block\":\"ptfcdoflopiggs\",\"curated_source_sha256\":null,\"curation_version\":\"frozen-v1.2\",\"external_identifiers\":{},\"formal_charge_by_ccd\":\"{\\\"zn\\\": 2}\",\"formulae\":\"[\\\"zn\\\"]\",\"geometry_note\":\"ccd ideal sdf is a reference chemical geometry, not a deposited bound pose.\",\"identity_status\":\"complete_deposited_inchikey\",\"inchikey\":\"ptfcdoflopiggs-uhfffaoysa-n\",\"inventory_origin\":\"v1_ccd_inventory\",\"isomeric_smiles\":\"[zn+2]\",\"primary_name\":\"zinc ion\",\"retrieval_date\":\"2026-10-24\",\"smiles_stereo_by_ccd\":\"{\\\"zn\\\": \\\"[zn+2]\\\"}\",\"source_metadata_sha256\":\"{\\\"zn\\\": \\\"1c14113a1e548349dad66cb5b6c42ed790238cef31d7894324afbc6d2e78760b\\\"}\",\"source_urls\":[\"https://www.rcsb.org/ligand/zn\"]}",
      "source_urls": [
        "https://www.rcsb.org/ligand/ZN"
      ],
      "verification_pending": false,
      "context_observations": [],
      "context_structures": [
        {
          "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"278\", \"component\": \"HIS\", \"entity_position\": 198, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.0731, \"uniprot_position\": 278}]",
          "biochemical_activity_inferred": 0,
          "ccd_id": "ZN",
          "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"255\", \"component\": \"CYS\", \"entity_position\": 175, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3166, \"uniprot_position\": 255}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"257\", \"component\": \"GLU\", \"entity_position\": 177, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4752, \"uniprot_position\": 257}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"258\", \"component\": \"CYS\", \"entity_position\": 178, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3158, \"uniprot_position\": 258}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"274\", \"component\": \"CYS\", \"entity_position\": 194, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3173, \"uniprot_position\": 274}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"278\", \"component\": \"HIS\", \"entity_position\": 198, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.0731, \"uniprot_position\": 278}]",
          "chain_id": "PDB:4COS:CHAIN:A:UP:Q9ULU4",
          "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
          "contact_class": "native_annotation_core_contact",
          "contact_distance_rank": 1,
          "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"278\", \"component\": \"HIS\", \"entity_position\": 198, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.0731, \"uniprot_position\": 278}]",
          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:Q9ULU4:PWWP1",
          "exact_pwwp_contact": true,
          "gene": "ZMYND8",
          "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion",
          "instance": {
            "alternate_locations": "[]",
            "auth_asym_ids": "[\"A\"]",
            "auth_seq_id": "1400",
            "ccd_id": "ZN",
            "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
            "component_context": "nonpolymer_component",
            "contacted_polymer_partners": "[{\"description\": \"PROTEIN KINASE C-BINDING PROTEIN 1\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 326, \"uniprot_ids\": [\"Q9ULU4\"]}]",
            "covalent_connection_ids": "[]",
            "heavy_atom_row_count": 1,
            "ideal_CCD_SDF_is_source_pose": 0,
            "label_asym_id": "B",
            "label_seq_id": null,
            "ligand_instance_id": "PDB:4COS:LIG:B:ZN:1400:.",
            "nearest_polypeptide_distance_angstrom": 2.0731,
            "nearest_polypeptide_label_asym_id": "A",
            "occupancy_max": 1.0,
            "occupancy_min": 1.0,
            "pdb_id": "4COS",
            "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"255\", \"component\": \"CYS\", \"entity_position\": 175, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3166, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"257\", \"component\": \"GLU\", \"entity_position\": 177, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4752, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"258\", \"component\": \"CYS\", \"entity_position\": 178, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3158, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"274\", \"component\": \"CYS\", \"entity_position\": 194, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3173, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"278\", \"component\": \"HIS\", \"entity_position\": 198, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.0731, \"uniprot_position\": null}]",
            "pose_kind": "deposited_source_coordinates",
            "reference_model": "1",
            "source_coordinate_file": "Structures/ZMYND8__HUMAN__Q9ULU4/APO/4COS/original.cif",
            "source_coordinate_sha256": "18686460ab8b7572b014f5497c8d6755f03a838965ca8bd0bd194ee114b964d8",
            "unique_heavy_atom_names": 1
          },
          "ligand_instance_id": "PDB:4COS:LIG:B:ZN:1400:.",
          "ligand_label_asym_id": "B",
          "minimum_Pfam_distance_angstrom": 2.0731,
          "minimum_chain_distance_angstrom": 2.0731,
          "minimum_core_distance_angstrom": 2.0731,
          "multiple_contacting_mapped_chains": 0,
          "pdb_id": "4COS",
          "protein_id": "UP:Q9ULU4",
          "protein_label_asym_id": "A",
          "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.",
          "role": "ion/cofactor_requires_context",
          "role_category": "incidental",
          "site_id": "PDB:4COS:LIG:B:ZN:1400:.:SITE:UP:Q9ULU4:PWWP1:A",
          "source_coordinate_sha256": "18686460ab8b7572b014f5497c8d6755f03a838965ca8bd0bd194ee114b964d8"
        },
        {
          "Pfam_contacts_5A": "[]",
          "biochemical_activity_inferred": 0,
          "ccd_id": "ZN",
          "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"91\", \"component\": \"CYS\", \"entity_position\": 11, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.319, \"uniprot_position\": 91}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"93\", \"component\": \"VAL\", \"entity_position\": 13, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.594, \"uniprot_position\": 93}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"94\", \"component\": \"CYS\", \"entity_position\": 14, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.285, \"uniprot_position\": 94}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"111\", \"component\": \"HIS\", \"entity_position\": 31, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.0977, \"uniprot_position\": 111}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"114\", \"component\": \"CYS\", \"entity_position\": 34, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.2981, \"uniprot_position\": 114}]",
          "chain_id": "PDB:4COS:CHAIN:A:UP:Q9ULU4",
          "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
          "contact_class": "noncore_contact_in_multidomain_chain",
          "contact_distance_rank": 1,
          "core_contacts_5A": "[]",
          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:Q9ULU4:PWWP1",
          "exact_pwwp_contact": false,
          "gene": "ZMYND8",
          "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion",
          "instance": {
            "alternate_locations": "[]",
            "auth_asym_ids": "[\"A\"]",
            "auth_seq_id": "1401",
            "ccd_id": "ZN",
            "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
            "component_context": "nonpolymer_component",
            "contacted_polymer_partners": "[{\"description\": \"PROTEIN KINASE C-BINDING PROTEIN 1\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 326, \"uniprot_ids\": [\"Q9ULU4\"]}]",
            "covalent_connection_ids": "[]",
            "heavy_atom_row_count": 1,
            "ideal_CCD_SDF_is_source_pose": 0,
            "label_asym_id": "C",
            "label_seq_id": null,
            "ligand_instance_id": "PDB:4COS:LIG:C:ZN:1401:.",
            "nearest_polypeptide_distance_angstrom": 2.0977,
            "nearest_polypeptide_label_asym_id": "A",
            "occupancy_max": 1.0,
            "occupancy_min": 1.0,
            "pdb_id": "4COS",
            "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"91\", \"component\": \"CYS\", \"entity_position\": 11, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.319, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"93\", \"component\": \"VAL\", \"entity_position\": 13, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.594, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"94\", \"component\": \"CYS\", \"entity_position\": 14, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.285, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"111\", \"component\": \"HIS\", \"entity_position\": 31, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.0977, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"114\", \"component\": \"CYS\", \"entity_position\": 34, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.2981, \"uniprot_position\": null}]",
            "pose_kind": "deposited_source_coordinates",
            "reference_model": "1",
            "source_coordinate_file": "Structures/ZMYND8__HUMAN__Q9ULU4/APO/4COS/original.cif",
            "source_coordinate_sha256": "18686460ab8b7572b014f5497c8d6755f03a838965ca8bd0bd194ee114b964d8",
            "unique_heavy_atom_names": 1
          },
          "ligand_instance_id": "PDB:4COS:LIG:C:ZN:1401:.",
          "ligand_label_asym_id": "C",
          "minimum_Pfam_distance_angstrom": 25.9496,
          "minimum_chain_distance_angstrom": 2.0977,
          "minimum_core_distance_angstrom": 25.9496,
          "multiple_contacting_mapped_chains": 0,
          "pdb_id": "4COS",
          "protein_id": "UP:Q9ULU4",
          "protein_label_asym_id": "A",
          "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.",
          "role": "ion/cofactor_requires_context",
          "role_category": "incidental",
          "site_id": "PDB:4COS:LIG:C:ZN:1401:.:SITE:UP:Q9ULU4:PWWP1:A",
          "source_coordinate_sha256": "18686460ab8b7572b014f5497c8d6755f03a838965ca8bd0bd194ee114b964d8"
        },
        {
          "Pfam_contacts_5A": "[]",
          "biochemical_activity_inferred": 0,
          "ccd_id": "ZN",
          "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"103\", \"component\": \"CYS\", \"entity_position\": 23, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3337, \"uniprot_position\": 103}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"105\", \"component\": \"LEU\", \"entity_position\": 25, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.625, \"uniprot_position\": 105}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"106\", \"component\": \"CYS\", \"entity_position\": 26, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.2845, \"uniprot_position\": 106}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"108\", \"component\": \"ARG\", \"entity_position\": 28, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.6198, \"uniprot_position\": 108}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"126\", \"component\": \"PHE\", \"entity_position\": 46, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8942, \"uniprot_position\": 126}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"127\", \"component\": \"CYS\", \"entity_position\": 47, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.2993, \"uniprot_position\": 127}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"130\", \"component\": \"CYS\", \"entity_position\": 50, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3357, \"uniprot_position\": 130}]",
          "chain_id": "PDB:4COS:CHAIN:A:UP:Q9ULU4",
          "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
          "contact_class": "noncore_contact_in_multidomain_chain",
          "contact_distance_rank": 1,
          "core_contacts_5A": "[]",
          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:Q9ULU4:PWWP1",
          "exact_pwwp_contact": false,
          "gene": "ZMYND8",
          "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion",
          "instance": {
            "alternate_locations": "[]",
            "auth_asym_ids": "[\"A\"]",
            "auth_seq_id": "1402",
            "ccd_id": "ZN",
            "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
            "component_context": "nonpolymer_component",
            "contacted_polymer_partners": "[{\"description\": \"PROTEIN KINASE C-BINDING PROTEIN 1\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 326, \"uniprot_ids\": [\"Q9ULU4\"]}]",
            "covalent_connection_ids": "[]",
            "heavy_atom_row_count": 1,
            "ideal_CCD_SDF_is_source_pose": 0,
            "label_asym_id": "D",
            "label_seq_id": null,
            "ligand_instance_id": "PDB:4COS:LIG:D:ZN:1402:.",
            "nearest_polypeptide_distance_angstrom": 2.2845,
            "nearest_polypeptide_label_asym_id": "A",
            "occupancy_max": 1.0,
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            "pdb_id": "4COS",
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          "covalent_connection_ids": "[]",
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            "occupancy_min": 1.0,
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            "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"103\", \"component\": \"CYS\", \"entity_position\": 23, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3816, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"105\", \"component\": \"LEU\", \"entity_position\": 25, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.7266, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"106\", \"component\": \"CYS\", \"entity_position\": 26, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.357, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"108\", \"component\": \"ARG\", \"entity_position\": 28, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5794, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"127\", \"component\": \"CYS\", \"entity_position\": 47, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3311, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"130\", \"component\": \"CYS\", \"entity_position\": 50, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.4319, \"uniprot_position\": null}]",
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            "reference_model": "1",
            "source_coordinate_file": "Structures/ZMYND8__HUMAN__Q9ULU4/APO/9T2F/original.cif",
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          "role": "ion/cofactor_requires_context",
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          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
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          "exact_pwwp_contact": true,
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          "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion",
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            "auth_asym_ids": "[\"A\"]",
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            "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
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            "contacted_polymer_partners": "[{\"description\": \"MYND-type zinc finger-containing chromatin reader ZMYND8\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 332, \"uniprot_ids\": [\"Q9ULU4\"]}]",
            "covalent_connection_ids": "[]",
            "heavy_atom_row_count": 1,
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            "label_asym_id": "E",
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            "ligand_instance_id": "PDB:9T2F:LIG:E:ZN:504:.",
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            "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"255\", \"component\": \"CYS\", \"entity_position\": 175, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3856, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"257\", \"component\": \"GLU\", \"entity_position\": 177, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.586, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"258\", \"component\": \"CYS\", \"entity_position\": 178, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.375, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"274\", \"component\": \"CYS\", \"entity_position\": 194, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3347, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"278\", \"component\": \"HIS\", \"entity_position\": 198, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.076, \"uniprot_position\": null}]",
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          "minimum_core_distance_angstrom": 2.076,
          "multiple_contacting_mapped_chains": 0,
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          "protein_id": "UP:Q9ULU4",
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          "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.",
          "role": "ion/cofactor_requires_context",
          "role_category": "incidental",
          "site_id": "PDB:9T2F:LIG:E:ZN:504:.:SITE:UP:Q9ULU4:PWWP1:A",
          "source_coordinate_sha256": "892edee866ba5352525742db289e1da9520510d4872d0cb335a1242459d44d0e"
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        {
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          "biochemical_activity_inferred": 0,
          "ccd_id": "ZN",
          "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"255\", \"component\": \"CYS\", \"entity_position\": 175, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3541, \"uniprot_position\": 255}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"257\", \"component\": \"GLU\", \"entity_position\": 177, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5019, \"uniprot_position\": 257}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"258\", \"component\": \"CYS\", \"entity_position\": 178, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.2747, \"uniprot_position\": 258}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"274\", \"component\": \"CYS\", \"entity_position\": 194, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3534, \"uniprot_position\": 274}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"278\", \"component\": \"HIS\", \"entity_position\": 198, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.1577, \"uniprot_position\": 278}]",
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          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:Q9ULU4:PWWP1",
          "exact_pwwp_contact": true,
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          "instance": {
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            "auth_asym_ids": "[\"A\"]",
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            "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
            "component_context": "nonpolymer_component",
            "contacted_polymer_partners": "[{\"description\": \"MYND-type zinc finger-containing chromatin reader ZMYND8\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 326, \"uniprot_ids\": [\"Q9ULU4\"]}]",
            "covalent_connection_ids": "[]",
            "heavy_atom_row_count": 1,
            "ideal_CCD_SDF_is_source_pose": 0,
            "label_asym_id": "B",
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            "ligand_instance_id": "PDB:9T2G:LIG:B:ZN:501:.",
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            "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"255\", \"component\": \"CYS\", \"entity_position\": 175, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3541, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"257\", \"component\": \"GLU\", \"entity_position\": 177, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5019, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"258\", \"component\": \"CYS\", \"entity_position\": 178, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.2747, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"274\", \"component\": \"CYS\", \"entity_position\": 194, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3534, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"278\", \"component\": \"HIS\", \"entity_position\": 198, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.1577, \"uniprot_position\": null}]",
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          "role": "ion/cofactor_requires_context",
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        {
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          "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"91\", \"component\": \"CYS\", \"entity_position\": 11, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.384, \"uniprot_position\": 91}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"93\", \"component\": \"VAL\", \"entity_position\": 13, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.6124, \"uniprot_position\": 93}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"94\", \"component\": \"CYS\", \"entity_position\": 14, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3103, \"uniprot_position\": 94}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"111\", \"component\": \"HIS\", \"entity_position\": 31, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.2815, \"uniprot_position\": 111}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"114\", \"component\": \"CYS\", \"entity_position\": 34, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3359, \"uniprot_position\": 114}]",
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          "core_contacts_5A": "[]",
          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
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            "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
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          "role": "ion/cofactor_requires_context",
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        {
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          "core_contacts_5A": "[]",
          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
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            "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
            "component_context": "nonpolymer_component",
            "contacted_polymer_partners": "[{\"description\": \"MYND-type zinc finger-containing chromatin reader ZMYND8\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 326, \"uniprot_ids\": [\"Q9ULU4\"]}]",
            "covalent_connection_ids": "[]",
            "heavy_atom_row_count": 1,
            "ideal_CCD_SDF_is_source_pose": 0,
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            "occupancy_min": 1.0,
            "pdb_id": "9T2G",
            "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"103\", \"component\": \"CYS\", \"entity_position\": 23, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.4118, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"105\", \"component\": \"LEU\", \"entity_position\": 25, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.7594, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"106\", \"component\": \"CYS\", \"entity_position\": 26, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3691, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"108\", \"component\": \"ARG\", \"entity_position\": 28, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.6454, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"127\", \"component\": \"CYS\", \"entity_position\": 47, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3695, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"130\", \"component\": \"CYS\", \"entity_position\": 50, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.298, \"uniprot_position\": null}]",
            "pose_kind": "deposited_source_coordinates",
            "reference_model": "1",
            "source_coordinate_file": "Structures/ZMYND8__HUMAN__Q9ULU4/APO/9T2G/original.cif",
            "source_coordinate_sha256": "ac4aaab0ebea6a86cb100a8a5883896f14e13137282684c6d4c91b17fba43c4b",
            "unique_heavy_atom_names": 1
          },
          "ligand_instance_id": "PDB:9T2G:LIG:D:ZN:503:.",
          "ligand_label_asym_id": "D",
          "minimum_Pfam_distance_angstrom": 24.5215,
          "minimum_chain_distance_angstrom": 2.298,
          "minimum_core_distance_angstrom": 24.5215,
          "multiple_contacting_mapped_chains": 0,
          "pdb_id": "9T2G",
          "protein_id": "UP:Q9ULU4",
          "protein_label_asym_id": "A",
          "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.",
          "role": "ion/cofactor_requires_context",
          "role_category": "incidental",
          "site_id": "PDB:9T2G:LIG:D:ZN:503:.:SITE:UP:Q9ULU4:PWWP1:A",
          "source_coordinate_sha256": "ac4aaab0ebea6a86cb100a8a5883896f14e13137282684c6d4c91b17fba43c4b"
        }
      ],
      "context_assay_count": 0,
      "context_measured_count": 0,
      "context_bound_count": 5,
      "context_pdb_count": 5,
      "context_negative_count": 0,
      "context_is_probe": false,
      "context_bioactivity_only": false,
      "context_kind": "PWWP-proximal structure",
      "science": {
        "studied_compound": false,
        "measured_count": 0,
        "structural_research_ligand": false,
        "research_pdb_count": 0,
        "other_component": false,
        "component_site_count": 0,
        "verification_queue": true,
        "positive_direct_binder": false,
        "reported_probe": false,
        "reported_control": false,
        "cellular_activity": false,
        "protein_degradation": false,
        "bioactivity_only": false,
        "research_site_count": 0,
        "unknown_site_count": 19,
        "annotation_roles": [
          "unresolved"
        ]
      },
      "science_label": "Identity / evidence review pending",
      "science_profile": {
        "annotation_roles": [
          "unresolved"
        ],
        "cellular_activity": false,
        "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
        "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
        "entity_kind": "chemical_identity",
        "identity_resolved": true,
        "measured_observation_count": 0,
        "name": "ZINC ION",
        "other_pdb_component": false,
        "other_site_count": 0,
        "positive_direct_binder": false,
        "primary_view": "unresolved",
        "protein_degradation": false,
        "reported_control": false,
        "reported_probe": false,
        "rule": "Independent source observations + per-site coordinate role, not universal pharmacology",
        "source_observation_ids": [],
        "source_site_ids": [
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          "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",
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          "PDB:8EIJ:LIG:E:ZN:902:.:SITE:UP:Q9UBC3:PWWP1:A",
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          "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",
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          "PDB:9LQ1:LIG:H:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:A",
          "PDB:11OA:LIG:U:ZN:1003:.:SITE:UP:Q9Y6K1: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: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",
          "PDB:11OA:LIG:DA:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:C",
          "PDB:11NZ:LIG:R:ZN:1003:.:SITE:UP:Q9Y6K1: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:8EIH:LIG:Q:ZN:901:.:SITE:UP:Q9UBC3:PWWP1:D",
          "PDB:8EIH:LIG:R:ZN:902:.:SITE:UP:Q9UBC3:PWWP1:D",
          "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",
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          "PDB:8EIH:LIG:S:ZN:903:.:SITE:UP:Q9UBC3:PWWP1:D",
          "PDB:11OH:LIG:K:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:C",
          "PDB:11NZ:LIG:U:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:D",
          "PDB:11OA:LIG:FA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:D",
          "PDB:11OI:LIG:M:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:D",
          "PDB:9PRW:LIG:Q:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:D",
          "PDB:9MPO:LIG:N:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:D",
          "PDB:11OH:LIG:L:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:C",
          "PDB:11NZ:LIG:V:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:D",
          "PDB:11OI:LIG:N:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:D",
          "PDB:11OA:LIG:GA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:D",
          "PDB:9PRW:LIG:R:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:D",
          "PDB:9MPO:LIG:O:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:D",
          "PDB:5Y1Z:LIG:M:ZN:502:.:SITE:UP:Q9ULU4: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:11OA:LIG:IA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:E",
          "PDB:11NZ:LIG:Y:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:E",
          "PDB:9MPO:LIG:Q:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:E",
          "PDB:11OA:LIG:JA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:E",
          "PDB:11NZ:LIG:Z:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:E",
          "PDB:9MPO:LIG:R:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:E",
          "PDB:11NZ:LIG:AA:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:E",
          "PDB:11OA:LIG:KA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:E",
          "PDB:9MPO:LIG:S:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:E",
          "PDB:11OA:LIG:NA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:F",
          "PDB:11NZ:LIG:CA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:F",
          "PDB:9MPO:LIG:U:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:F",
          "PDB:9LQ1:LIG:K:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:D",
          "PDB:11OA:LIG:OA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:F",
          "PDB:11NZ:LIG:DA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:F",
          "PDB:9MPO:LIG:V:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:F",
          "PDB:9LQ1:LIG:L:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:D",
          "PDB:11NZ:LIG:EA:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:F",
          "PDB:11OA:LIG:PA:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:F",
          "PDB:9MPO:LIG:W:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:F",
          "PDB:9LQ1:LIG:J:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:D",
          "PDB:11NZ:LIG:FA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:G",
          "PDB:11OA:LIG:RA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:G",
          "PDB:11NZ:LIG:GA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:G",
          "PDB:11OA:LIG:SA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:G",
          "PDB:11OA:LIG:TA:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:G",
          "PDB:11NZ:LIG:HA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:G",
          "PDB:11NZ:LIG:KA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:H",
          "PDB:11OA:LIG:UA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:H",
          "PDB:11NZ:LIG:LA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:H",
          "PDB:11OA:LIG:VA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:H",
          "PDB:11NZ:LIG:MA:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:H",
          "PDB:11OA:LIG:WA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:H",
          "PDB:7CRO:LIG:M:ZN:1402:.:SITE:UP:O96028:PWWP2:K",
          "PDB:7CRO:LIG:N:ZN:1403:.:SITE:UP:O96028:PWWP2:K",
          "PDB:7CRP:LIG:N:ZN:1503:.:SITE:UP:Q9BZ95:PWWP2:K",
          "PDB:7CRR:LIG:N:ZN:1503:.:SITE:UP:Q9BZ95:PWWP2:K",
          "PDB:7CRQ:LIG:N:ZN:1502:.:SITE:UP:Q9BZ95:PWWP2:K",
          "PDB:7CRQ:LIG:O:ZN:1503:.:SITE:UP:Q9BZ95:PWWP2:K",
          "PDB:7CRR:LIG:O:ZN:1504:.:SITE:UP:Q9BZ95:PWWP2:K",
          "PDB:7CRP:LIG:O:ZN:1504:.:SITE:UP:Q9BZ95:PWWP2:K",
          "PDB:7CRO:LIG:O:ZN:1404:.:SITE:UP:O96028:PWWP2:K",
          "PDB:7CRP:LIG:M:ZN:1502:.:SITE:UP:Q9BZ95:PWWP2:K",
          "PDB:7CRR:LIG:M:ZN:1502:.:SITE:UP:Q9BZ95:PWWP2:K",
          "PDB:7CRQ:LIG:P:ZN:1504:.:SITE:UP:Q9BZ95:PWWP2:K",
          "PDB:11OA:LIG:ZA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:I",
          "PDB:11NZ:LIG:OA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:I",
          "PDB:11NZ:LIG:PA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:I",
          "PDB:11OA:LIG:AB:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:I",
          "PDB:11NZ:LIG:QA:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:I",
          "PDB:11OA:LIG:BB:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:I",
          "PDB:11OA:LIG:CB:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:J",
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          "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"
        ],
        "structural_research_ligand": false,
        "structural_research_site_count": 0,
        "studied_compound": false,
        "total_observation_count": 0,
        "uncertain_site_count": 379,
        "uncertainty": "Classification is evidence- and experiment-scoped; missing assays do not prove nonbinding.",
        "verification_queue": true,
        "verification_status": "source_scoped_mixed"
      },
      "science_site_roles": {
        "PDB:4COS:LIG:B:ZN:1400:.:SITE:UP:Q9ULU4:PWWP1:A": {
          "ccd_url": "https://www.rcsb.org/ligand/ZN",
          "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
          "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
          "contact_class": "native_annotation_core_contact",
          "coordinate_sha256": "18686460ab8b7572b014f5497c8d6755f03a838965ca8bd0bd194ee114b964d8",
          "domain_id": "UP:Q9ULU4:PWWP1",
          "exact_pwwp_contact": true,
          "ligand_instance_id": "PDB:4COS:LIG:B:ZN:1400:.",
          "observed_other_component": false,
          "pdb_id": "4COS",
          "protein_id": "UP:Q9ULU4",
          "role_code": "ion_cofactor_role_unresolved",
          "role_group": "context_unresolved",
          "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",
          "source_role": "ion/cofactor_requires_context",
          "source_url": "https://www.rcsb.org/structure/4COS",
          "structural_research_ligand": false,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:4COS:LIG:C:ZN:1401:.:SITE:UP:Q9ULU4:PWWP1:A": {
          "ccd_url": "https://www.rcsb.org/ligand/ZN",
          "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
          "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
          "contact_class": "noncore_contact_in_multidomain_chain",
          "coordinate_sha256": "18686460ab8b7572b014f5497c8d6755f03a838965ca8bd0bd194ee114b964d8",
          "domain_id": "UP:Q9ULU4:PWWP1",
          "exact_pwwp_contact": false,
          "ligand_instance_id": "PDB:4COS:LIG:C:ZN:1401:.",
          "observed_other_component": false,
          "pdb_id": "4COS",
          "protein_id": "UP:Q9ULU4",
          "role_code": "ion_cofactor_role_unresolved",
          "role_group": "context_unresolved",
          "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",
          "source_role": "ion/cofactor_requires_context",
          "source_url": "https://www.rcsb.org/structure/4COS",
          "structural_research_ligand": false,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:4COS:LIG:D:ZN:1402:.:SITE:UP:Q9ULU4:PWWP1:A": {
          "ccd_url": "https://www.rcsb.org/ligand/ZN",
          "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
          "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
          "contact_class": "noncore_contact_in_multidomain_chain",
          "coordinate_sha256": "18686460ab8b7572b014f5497c8d6755f03a838965ca8bd0bd194ee114b964d8",
          "domain_id": "UP:Q9ULU4:PWWP1",
          "exact_pwwp_contact": false,
          "ligand_instance_id": "PDB:4COS:LIG:D:ZN:1402:.",
          "observed_other_component": false,
          "pdb_id": "4COS",
          "protein_id": "UP:Q9ULU4",
          "role_code": "ion_cofactor_role_unresolved",
          "role_group": "context_unresolved",
          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:4COS:LIG:D:ZN:1402:.:SITE:UP:Q9ULU4:PWWP1:A",
          "source_role": "ion/cofactor_requires_context",
          "source_url": "https://www.rcsb.org/structure/4COS",
          "structural_research_ligand": false,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:5B73:LIG:B:ZN:501:.:SITE:UP:Q9ULU4:PWWP1:A": {
          "ccd_url": "https://www.rcsb.org/ligand/ZN",
          "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
          "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
          "contact_class": "native_annotation_core_contact",
          "coordinate_sha256": "a14aa28e93213a99e4976780d97eb959783d0aaa833cdf19ab277b65a5b19153",
          "domain_id": "UP:Q9ULU4:PWWP1",
          "exact_pwwp_contact": true,
          "ligand_instance_id": "PDB:5B73:LIG:B:ZN:501:.",
          "observed_other_component": false,
          "pdb_id": "5B73",
          "protein_id": "UP:Q9ULU4",
          "role_code": "ion_cofactor_role_unresolved",
          "role_group": "context_unresolved",
          "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",
          "source_role": "ion/cofactor_requires_context",
          "source_url": "https://www.rcsb.org/structure/5B73",
          "structural_research_ligand": false,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:5B73:LIG:C:ZN:502:.:SITE:UP:Q9ULU4:PWWP1:A": {
          "ccd_url": "https://www.rcsb.org/ligand/ZN",
          "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
          "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
          "contact_class": "noncore_contact_in_multidomain_chain",
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          "domain_id": "UP:Q9ULU4:PWWP1",
          "exact_pwwp_contact": false,
          "ligand_instance_id": "PDB:5B73:LIG:C:ZN:502:.",
          "observed_other_component": false,
          "pdb_id": "5B73",
          "protein_id": "UP:Q9ULU4",
          "role_code": "ion_cofactor_role_unresolved",
          "role_group": "context_unresolved",
          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:5B73:LIG:C:ZN:502:.:SITE:UP:Q9ULU4:PWWP1:A",
          "source_role": "ion/cofactor_requires_context",
          "source_url": "https://www.rcsb.org/structure/5B73",
          "structural_research_ligand": false,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:5B73:LIG:D:ZN:503:.:SITE:UP:Q9ULU4:PWWP1:A": {
          "ccd_url": "https://www.rcsb.org/ligand/ZN",
          "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
          "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
          "contact_class": "noncore_contact_in_multidomain_chain",
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          "domain_id": "UP:Q9ULU4:PWWP1",
          "exact_pwwp_contact": false,
          "ligand_instance_id": "PDB:5B73:LIG:D:ZN:503:.",
          "observed_other_component": false,
          "pdb_id": "5B73",
          "protein_id": "UP:Q9ULU4",
          "role_code": "ion_cofactor_role_unresolved",
          "role_group": "context_unresolved",
          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:5B73:LIG:D:ZN:503:.:SITE:UP:Q9ULU4:PWWP1:A",
          "source_role": "ion/cofactor_requires_context",
          "source_url": "https://www.rcsb.org/structure/5B73",
          "structural_research_ligand": false,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:5Y1Z:LIG:F:ZN:501:.:SITE:UP:Q9ULU4:PWWP1:C": {
          "ccd_url": "https://www.rcsb.org/ligand/ZN",
          "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
          "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
          "contact_class": "noncore_contact_in_multidomain_chain",
          "coordinate_sha256": "be13d6b91869c9f53cf8d4f56feeafd44b575e91a966831894aab4ceffbf73a3",
          "domain_id": "UP:Q9ULU4:PWWP1",
          "exact_pwwp_contact": false,
          "ligand_instance_id": "PDB:5Y1Z:LIG:F:ZN:501:.",
          "observed_other_component": false,
          "pdb_id": "5Y1Z",
          "protein_id": "UP:Q9ULU4",
          "role_code": "ion_cofactor_role_unresolved",
          "role_group": "context_unresolved",
          "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",
          "source_role": "ion/cofactor_requires_context",
          "source_url": "https://www.rcsb.org/structure/5Y1Z",
          "structural_research_ligand": false,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:5Y1Z:LIG:G:ZN:502:.:SITE:UP:Q9ULU4:PWWP1:C": {
          "ccd_url": "https://www.rcsb.org/ligand/ZN",
          "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
          "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
          "contact_class": "native_annotation_core_contact",
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          "domain_id": "UP:Q9ULU4:PWWP1",
          "exact_pwwp_contact": true,
          "ligand_instance_id": "PDB:5Y1Z:LIG:G:ZN:502:.",
          "observed_other_component": false,
          "pdb_id": "5Y1Z",
          "protein_id": "UP:Q9ULU4",
          "role_code": "ion_cofactor_role_unresolved",
          "role_group": "context_unresolved",
          "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",
          "source_role": "ion/cofactor_requires_context",
          "source_url": "https://www.rcsb.org/structure/5Y1Z",
          "structural_research_ligand": false,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:5Y1Z:LIG:H:ZN:503:.:SITE:UP:Q9ULU4:PWWP1:C": {
          "ccd_url": "https://www.rcsb.org/ligand/ZN",
          "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
          "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
          "contact_class": "noncore_contact_in_multidomain_chain",
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          "domain_id": "UP:Q9ULU4:PWWP1",
          "exact_pwwp_contact": false,
          "ligand_instance_id": "PDB:5Y1Z:LIG:H:ZN:503:.",
          "observed_other_component": false,
          "pdb_id": "5Y1Z",
          "protein_id": "UP:Q9ULU4",
          "role_code": "ion_cofactor_role_unresolved",
          "role_group": "context_unresolved",
          "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",
          "source_role": "ion/cofactor_requires_context",
          "source_url": "https://www.rcsb.org/structure/5Y1Z",
          "structural_research_ligand": false,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:5Y1Z:LIG:L:ZN:501:.:SITE:UP:Q9ULU4:PWWP1:D": {
          "ccd_url": "https://www.rcsb.org/ligand/ZN",
          "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
          "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
          "contact_class": "noncore_contact_in_multidomain_chain",
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          "domain_id": "UP:Q9ULU4:PWWP1",
          "exact_pwwp_contact": false,
          "ligand_instance_id": "PDB:5Y1Z:LIG:L:ZN:501:.",
          "observed_other_component": false,
          "pdb_id": "5Y1Z",
          "protein_id": "UP:Q9ULU4",
          "role_code": "ion_cofactor_role_unresolved",
          "role_group": "context_unresolved",
          "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",
          "source_role": "ion/cofactor_requires_context",
          "source_url": "https://www.rcsb.org/structure/5Y1Z",
          "structural_research_ligand": false,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:5Y1Z:LIG:M:ZN:502:.:SITE:UP:Q9ULU4:PWWP1:C": {
          "ccd_url": "https://www.rcsb.org/ligand/ZN",
          "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
          "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
          "contact_class": "noncore_contact_in_multidomain_chain",
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          "domain_id": "UP:Q9ULU4:PWWP1",
          "exact_pwwp_contact": false,
          "ligand_instance_id": "PDB:5Y1Z:LIG:M:ZN:502:.",
          "observed_other_component": false,
          "pdb_id": "5Y1Z",
          "protein_id": "UP:Q9ULU4",
          "role_code": "ion_cofactor_role_unresolved",
          "role_group": "context_unresolved",
          "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",
          "source_role": "ion/cofactor_requires_context",
          "source_url": "https://www.rcsb.org/structure/5Y1Z",
          "structural_research_ligand": false,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:5Y1Z:LIG:M:ZN:502:.:SITE:UP:Q9ULU4:PWWP1:D": {
          "ccd_url": "https://www.rcsb.org/ligand/ZN",
          "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
          "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
          "contact_class": "noncore_contact_in_multidomain_chain",
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          "domain_id": "UP:Q9ULU4:PWWP1",
          "exact_pwwp_contact": false,
          "ligand_instance_id": "PDB:5Y1Z:LIG:M:ZN:502:.",
          "observed_other_component": false,
          "pdb_id": "5Y1Z",
          "protein_id": "UP:Q9ULU4",
          "role_code": "ion_cofactor_role_unresolved",
          "role_group": "context_unresolved",
          "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:D",
          "source_role": "ion/cofactor_requires_context",
          "source_url": "https://www.rcsb.org/structure/5Y1Z",
          "structural_research_ligand": false,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:5Y1Z:LIG:N:ZN:503:.:SITE:UP:Q9ULU4:PWWP1:D": {
          "ccd_url": "https://www.rcsb.org/ligand/ZN",
          "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
          "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
          "contact_class": "native_annotation_core_contact",
          "coordinate_sha256": "be13d6b91869c9f53cf8d4f56feeafd44b575e91a966831894aab4ceffbf73a3",
          "domain_id": "UP:Q9ULU4:PWWP1",
          "exact_pwwp_contact": true,
          "ligand_instance_id": "PDB:5Y1Z:LIG:N:ZN:503:.",
          "observed_other_component": false,
          "pdb_id": "5Y1Z",
          "protein_id": "UP:Q9ULU4",
          "role_code": "ion_cofactor_role_unresolved",
          "role_group": "context_unresolved",
          "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",
          "source_role": "ion/cofactor_requires_context",
          "source_url": "https://www.rcsb.org/structure/5Y1Z",
          "structural_research_ligand": false,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:9T2F:LIG:C:ZN:502:.:SITE:UP:Q9ULU4:PWWP1:A": {
          "ccd_url": "https://www.rcsb.org/ligand/ZN",
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          "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
          "contact_class": "noncore_contact_in_multidomain_chain",
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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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        "PDB:9T2F:LIG:D:ZN:503:.:SITE:UP:Q9ULU4:PWWP1:A": {
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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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        },
        "PDB:9T2F:LIG:E:ZN:504:.:SITE:UP:Q9ULU4:PWWP1:A": {
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          "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
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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.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:9T2G:LIG:B:ZN:501:.:SITE:UP:Q9ULU4:PWWP1:A": {
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          "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
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          "exact_pwwp_contact": true,
          "ligand_instance_id": "PDB:9T2G:LIG:B:ZN:501:.",
          "observed_other_component": false,
          "pdb_id": "9T2G",
          "protein_id": "UP:Q9ULU4",
          "role_code": "ion_cofactor_role_unresolved",
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          "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",
          "source_role": "ion/cofactor_requires_context",
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          "structural_research_ligand": false,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "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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          "pdb_id": "9T2G",
          "protein_id": "UP:Q9ULU4",
          "role_code": "ion_cofactor_role_unresolved",
          "role_group": "context_unresolved",
          "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",
          "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.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:9T2G:LIG:D:ZN:503:.:SITE:UP:Q9ULU4:PWWP1:A": {
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          "role_group": "context_unresolved",
          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
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          "source_role": "ion/cofactor_requires_context",
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        }
      },
      "science_assay_roles": {},
      "example": null,
      "matched_observations": [],
      "matched_assay_count": 0
    }
  ]
}