{
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    "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:P52701:PWWP1",
    "bound": "",
    "pdb": "",
    "identity": "",
    "role": "",
    "method": "",
    "endpoint": "",
    "relation": "",
    "potency_min": "",
    "potency_max": "",
    "source": "",
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    "construct": "",
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    "scope": "relevant",
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    "sort": ""
  },
  "compounds": [
    {
      "aliases": [
        "MAGNESIUM ION"
      ],
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      "associated_pdb_ids": [
        "6OQM",
        "7OUF",
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        "7OUH",
        "8AG6"
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      "bound_structure_count": 1,
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      "compound_id": "INCHIKEY:JLVVSXFLKOJNIY-UHFFFAOYSA-N",
      "curation_version": "phase5-1.0.0",
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        "calculated_HBD": 0,
        "calculated_TPSA": 0.0,
        "calculated_formula": "Mg+2",
        "calculated_logP": -0.3808,
        "calculated_molecular_weight": 24.305,
        "computed_inchikey": "JLVVSXFLKOJNIY-UHFFFAOYSA-N",
        "descriptor_scope": "RDKit calculation for the source identity; not an experimental measurement",
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      ],
      "entity_kind": "chemical_identity",
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        "MSH6"
      ],
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      "has_source_conflict": false,
      "identity": {
        "aliases": [
          "MAGNESIUM ION"
        ],
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          "MG"
        ],
        "ccd_names": "[\"MAGNESIUM ION\"]",
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        "chemical_id": "INCHIKEY:JLVVSXFLKOJNIY-UHFFFAOYSA-N",
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        "inchikey": "JLVVSXFLKOJNIY-UHFFFAOYSA-N",
        "inventory_origin": "v1_CCD_inventory",
        "isomeric_smiles": "[Mg+2]",
        "primary_name": "MAGNESIUM ION",
        "retrieval_date": "2026-10-24",
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        "source_metadata_sha256": "{\"MG\": \"aeab8459a0087be8968b1046f6eab0f9f41d92749db209841a616b541bd23c61\"}",
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      "search_text": "magnesium ion inchikey:jlvvsxflkojniy-uhfffaoysa-n magnesium ion msh6 up:p52701:pwwp1 6oqm 7ouf 7oug 7ouh 8ag6 {\"aliases\":[\"magnesium ion\"],\"ccd_ids\":[\"mg\"],\"ccd_names\":\"[\\\"magnesium ion\\\"]\",\"ccd_types\":\"[\\\"non-polymer\\\"]\",\"chemical_id\":\"inchikey:jlvvsxflkojniy-uhfffaoysa-n\",\"connectivity_block\":\"jlvvsxflkojniy\",\"curated_source_sha256\":null,\"curation_version\":\"frozen-v1.2\",\"external_identifiers\":{},\"formal_charge_by_ccd\":\"{\\\"mg\\\": 2}\",\"formulae\":\"[\\\"mg\\\"]\",\"geometry_note\":\"ccd ideal sdf is a reference chemical geometry, not a deposited bound pose.\",\"identity_status\":\"complete_deposited_inchikey\",\"inchikey\":\"jlvvsxflkojniy-uhfffaoysa-n\",\"inventory_origin\":\"v1_ccd_inventory\",\"isomeric_smiles\":\"[mg+2]\",\"primary_name\":\"magnesium ion\",\"retrieval_date\":\"2026-10-24\",\"smiles_stereo_by_ccd\":\"{\\\"mg\\\": \\\"[mg+2]\\\"}\",\"source_metadata_sha256\":\"{\\\"mg\\\": \\\"aeab8459a0087be8968b1046f6eab0f9f41d92749db209841a616b541bd23c61\\\"}\",\"source_urls\":[\"https://www.rcsb.org/ligand/mg\"]}",
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        "https://www.rcsb.org/ligand/MG"
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          "minimum_chain_distance_angstrom": 3.8342,
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          "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.",
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      "context_pdb_count": 1,
      "context_negative_count": 0,
      "context_is_probe": false,
      "context_bioactivity_only": false,
      "context_kind": "PWWP-proximal structure",
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        "structural_research_ligand": false,
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        "verification_queue": false,
        "positive_direct_binder": false,
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        "reported_control": false,
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        "annotation_roles": [
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      "science_profile": {
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          "verification_status": "phase5_derived_deposited_geometry"
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        "SULFATE ION"
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      "associated_pdb_ids": [
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        "geometry_note": "CCD ideal SDF is a reference chemical geometry, not a deposited bound pose.",
        "identity_status": "complete_deposited_InChIKey",
        "inchikey": "QAOWNCQODCNURD-UHFFFAOYSA-L",
        "inventory_origin": "v1_CCD_inventory",
        "isomeric_smiles": "[O-]S(=O)(=O)[O-]",
        "primary_name": "SULFATE ION",
        "retrieval_date": "2026-10-24",
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      "relationships": [],
      "relevant": false,
      "search_text": "sulfate ion inchikey:qaowncqodcnurd-uhfffaoysa-l sulfate ion brpf1 brpf3 dnmt3a dnmt3b hdgfl2 hdgfl3 msh6 nsd2 psip1 zmynd8 up:o75475:pwwp1 up:o96028:pwwp1 up:p52701:pwwp1 up:p55201:pwwp1 up:q7z4v5:pwwp1 up:q9ubc3:pwwp1 up:q9uld4:pwwp1 up:q9ulu4:pwwp1 up:q9y3e1:pwwp1 up:q9y6k1:pwwp1 2x4x 2x4y 3llr 3pfs 3pmi 3qby 3qj6 3qkj 4fu6 5nr3 5nrr 5nrs 5nrv 5nv0 5nv2 5nv7 5nvo 5y1z 6iip 6oqm 6r3e 7hg0 7hg1 7hg2 7hg3 7hg4 7hg5 7hg6 7hg7 7hg8 7hg9 7hga 7hgb 7hgc 7hgd 7hge 7hgf 7hgg 7hgh 7hgi 7hgj 7hgk 7hgl 7hgm 7hgn 7hgo 7hgp 7hgq 7hgr 7hgs 7hgt 7hgu 7hgv 7hgw 7hgx 7hgy 7hgz 7hh0 7hh1 7hh2 7hh3 7hh4 7hh5 7hh6 7hh7 7hh8 7hh9 7hha 7hhb 7hhc 7hhd 7hhe 7hhf 7hhg 7hhh 7hhi 7hhj 7hhk 7hhl 7hhm 7hhn 7hho 7hhp 7hhq 7hhr 8z6c 9g91 9g94 9g96 9grs 9grt 9gru 9grv 9i7b 9i7c 9i7d 9i7g 9i7i 9kn9 9kna {\"aliases\":[\"sulfate ion\"],\"ccd_ids\":[\"so4\"],\"ccd_names\":\"[\\\"sulfate ion\\\"]\",\"ccd_types\":\"[\\\"non-polymer\\\"]\",\"chemical_id\":\"inchikey:qaowncqodcnurd-uhfffaoysa-l\",\"connectivity_block\":\"qaowncqodcnurd\",\"curated_source_sha256\":null,\"curation_version\":\"frozen-v1.2\",\"external_identifiers\":{},\"formal_charge_by_ccd\":\"{\\\"so4\\\": -2}\",\"formulae\":\"[\\\"o4 s\\\"]\",\"geometry_note\":\"ccd ideal sdf is a reference chemical geometry, not a deposited bound pose.\",\"identity_status\":\"complete_deposited_inchikey\",\"inchikey\":\"qaowncqodcnurd-uhfffaoysa-l\",\"inventory_origin\":\"v1_ccd_inventory\",\"isomeric_smiles\":\"[o-]s(=o)(=o)[o-]\",\"primary_name\":\"sulfate ion\",\"retrieval_date\":\"2026-10-24\",\"smiles_stereo_by_ccd\":\"{\\\"so4\\\": \\\"[o-]s(=o)(=o)[o-]\\\"}\",\"source_metadata_sha256\":\"{\\\"so4\\\": \\\"57aceedeab06d4d0d48593c491d478dbdabd9dbf9523330e338df7d2bf58e992\\\"}\",\"source_urls\":[\"https://www.rcsb.org/ligand/so4\"]}",
      "source_urls": [
        "https://www.rcsb.org/ligand/SO4"
      ],
      "verification_pending": false,
      "context_observations": [],
      "context_structures": [
        {
          "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"125\", \"component\": \"LYS\", \"entity_position\": 57, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.7172, \"uniprot_position\": 125}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"126\", \"component\": \"SER\", \"entity_position\": 58, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3019, \"uniprot_position\": 126}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"127\", \"component\": \"VAL\", \"entity_position\": 59, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.5613, \"uniprot_position\": 127}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"145\", \"component\": \"LYS\", \"entity_position\": 77, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.08, \"uniprot_position\": 145}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"146\", \"component\": \"ARG\", \"entity_position\": 78, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8414, \"uniprot_position\": 146}]",
          "biochemical_activity_inferred": 0,
          "ccd_id": "SO4",
          "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"125\", \"component\": \"LYS\", \"entity_position\": 57, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.7172, \"uniprot_position\": 125}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"126\", \"component\": \"SER\", \"entity_position\": 58, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3019, \"uniprot_position\": 126}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"127\", \"component\": \"VAL\", \"entity_position\": 59, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.5613, \"uniprot_position\": 127}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"145\", \"component\": \"LYS\", \"entity_position\": 77, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.08, \"uniprot_position\": 145}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"146\", \"component\": \"ARG\", \"entity_position\": 78, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8414, \"uniprot_position\": 146}]",
          "chain_id": "PDB:6OQM:CHAIN:A:UP:P52701",
          "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
          "contact_class": "native_annotation_core_contact",
          "contact_distance_rank": 1,
          "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"125\", \"component\": \"LYS\", \"entity_position\": 57, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.7172, \"uniprot_position\": 125}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"126\", \"component\": \"SER\", \"entity_position\": 58, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3019, \"uniprot_position\": 126}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"127\", \"component\": \"VAL\", \"entity_position\": 59, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.5613, \"uniprot_position\": 127}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"145\", \"component\": \"LYS\", \"entity_position\": 77, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.08, \"uniprot_position\": 145}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"146\", \"component\": \"ARG\", \"entity_position\": 78, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8414, \"uniprot_position\": 146}]",
          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:P52701:PWWP1",
          "exact_pwwp_contact": true,
          "gene": "MSH6",
          "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": "203",
            "ccd_id": "SO4",
            "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
            "component_context": "nonpolymer_component",
            "contacted_polymer_partners": "[{\"description\": \"DNA mismatch repair protein Msh6\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 130, \"uniprot_ids\": [\"P52701\"]}]",
            "covalent_connection_ids": "[]",
            "heavy_atom_row_count": 5,
            "ideal_CCD_SDF_is_source_pose": 0,
            "label_asym_id": "D",
            "label_seq_id": null,
            "ligand_instance_id": "PDB:6OQM:LIG:D:SO4:203:.",
            "nearest_polypeptide_distance_angstrom": 2.5613,
            "nearest_polypeptide_label_asym_id": "A",
            "occupancy_max": 1.0,
            "occupancy_min": 1.0,
            "pdb_id": "6OQM",
            "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"125\", \"component\": \"LYS\", \"entity_position\": 57, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.7172, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"126\", \"component\": \"SER\", \"entity_position\": 58, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3019, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"127\", \"component\": \"VAL\", \"entity_position\": 59, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.5613, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"145\", \"component\": \"LYS\", \"entity_position\": 77, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.08, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"146\", \"component\": \"ARG\", \"entity_position\": 78, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8414, \"uniprot_position\": null}]",
            "pose_kind": "deposited_source_coordinates",
            "reference_model": "1",
            "source_coordinate_file": "Structures/MSH6__HUMAN__P52701/Unclassified_Review/6OQM/original.cif",
            "source_coordinate_sha256": "a56fb9d51ad4436d3d8bd187a570af2e5abb25e5e52e2e3b8d472ba15d2dfed5",
            "unique_heavy_atom_names": 5
          },
          "ligand_instance_id": "PDB:6OQM:LIG:D:SO4:203:.",
          "ligand_label_asym_id": "D",
          "minimum_Pfam_distance_angstrom": 2.5613,
          "minimum_chain_distance_angstrom": 2.5613,
          "minimum_core_distance_angstrom": 2.5613,
          "multiple_contacting_mapped_chains": 0,
          "pdb_id": "6OQM",
          "protein_id": "UP:P52701",
          "protein_label_asym_id": "A",
          "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.",
          "role": "ion/additive",
          "role_category": "incidental",
          "site_id": "PDB:6OQM:LIG:D:SO4:203:.:SITE:UP:P52701:PWWP1:A",
          "source_coordinate_sha256": "a56fb9d51ad4436d3d8bd187a570af2e5abb25e5e52e2e3b8d472ba15d2dfed5"
        },
        {
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          "biochemical_activity_inferred": 0,
          "ccd_id": "SO4",
          "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"99\", \"component\": \"LYS\", \"entity_position\": 31, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4713, \"uniprot_position\": 99}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"100\", \"component\": \"MET\", \"entity_position\": 32, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.7335, \"uniprot_position\": 100}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"101\", \"component\": \"GLU\", \"entity_position\": 33, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.741, \"uniprot_position\": 101}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"102\", \"component\": \"GLY\", \"entity_position\": 34, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.2674, \"uniprot_position\": 102}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"103\", \"component\": \"TYR\", \"entity_position\": 35, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.854, \"uniprot_position\": 103}]",
          "chain_id": "PDB:6OQM:CHAIN:A:UP:P52701",
          "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
          "contact_class": "native_annotation_core_contact",
          "contact_distance_rank": 1,
          "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"99\", \"component\": \"LYS\", \"entity_position\": 31, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4713, \"uniprot_position\": 99}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"100\", \"component\": \"MET\", \"entity_position\": 32, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.7335, \"uniprot_position\": 100}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"101\", \"component\": \"GLU\", \"entity_position\": 33, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.741, \"uniprot_position\": 101}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"102\", \"component\": \"GLY\", \"entity_position\": 34, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.2674, \"uniprot_position\": 102}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"103\", \"component\": \"TYR\", \"entity_position\": 35, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.854, \"uniprot_position\": 103}]",
          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:P52701:PWWP1",
          "exact_pwwp_contact": true,
          "gene": "MSH6",
          "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": "204",
            "ccd_id": "SO4",
            "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
            "component_context": "nonpolymer_component",
            "contacted_polymer_partners": "[{\"description\": \"DNA mismatch repair protein Msh6\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 130, \"uniprot_ids\": [\"P52701\"]}]",
            "covalent_connection_ids": "[]",
            "heavy_atom_row_count": 5,
            "ideal_CCD_SDF_is_source_pose": 0,
            "label_asym_id": "E",
            "label_seq_id": null,
            "ligand_instance_id": "PDB:6OQM:LIG:E:SO4:204:.",
            "nearest_polypeptide_distance_angstrom": 3.2674,
            "nearest_polypeptide_label_asym_id": "A",
            "occupancy_max": 1.0,
            "occupancy_min": 1.0,
            "pdb_id": "6OQM",
            "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"99\", \"component\": \"LYS\", \"entity_position\": 31, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4713, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"100\", \"component\": \"MET\", \"entity_position\": 32, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.7335, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"101\", \"component\": \"GLU\", \"entity_position\": 33, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.741, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"102\", \"component\": \"GLY\", \"entity_position\": 34, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.2674, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"103\", \"component\": \"TYR\", \"entity_position\": 35, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.854, \"uniprot_position\": null}]",
            "pose_kind": "deposited_source_coordinates",
            "reference_model": "1",
            "source_coordinate_file": "Structures/MSH6__HUMAN__P52701/Unclassified_Review/6OQM/original.cif",
            "source_coordinate_sha256": "a56fb9d51ad4436d3d8bd187a570af2e5abb25e5e52e2e3b8d472ba15d2dfed5",
            "unique_heavy_atom_names": 5
          },
          "ligand_instance_id": "PDB:6OQM:LIG:E:SO4:204:.",
          "ligand_label_asym_id": "E",
          "minimum_Pfam_distance_angstrom": 3.2674,
          "minimum_chain_distance_angstrom": 3.2674,
          "minimum_core_distance_angstrom": 3.2674,
          "multiple_contacting_mapped_chains": 0,
          "pdb_id": "6OQM",
          "protein_id": "UP:P52701",
          "protein_label_asym_id": "A",
          "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.",
          "role": "ion/additive",
          "role_category": "incidental",
          "site_id": "PDB:6OQM:LIG:E:SO4:204:.:SITE:UP:P52701:PWWP1:A",
          "source_coordinate_sha256": "a56fb9d51ad4436d3d8bd187a570af2e5abb25e5e52e2e3b8d472ba15d2dfed5"
        },
        {
          "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"113\", \"component\": \"HIS\", \"entity_position\": 45, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.9691, \"uniprot_position\": 113}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"116\", \"component\": \"ASP\", \"entity_position\": 48, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4009, \"uniprot_position\": 116}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"130\", \"component\": \"HIS\", \"entity_position\": 62, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.1683, \"uniprot_position\": 130}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"140\", \"component\": \"ARG\", \"entity_position\": 72, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.7416, \"uniprot_position\": 140}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"142\", \"component\": \"TRP\", \"entity_position\": 74, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8087, \"uniprot_position\": 142}]",
          "biochemical_activity_inferred": 0,
          "ccd_id": "SO4",
          "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"113\", \"component\": \"HIS\", \"entity_position\": 45, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.9691, \"uniprot_position\": 113}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"116\", \"component\": \"ASP\", \"entity_position\": 48, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4009, \"uniprot_position\": 116}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"130\", \"component\": \"HIS\", \"entity_position\": 62, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.1683, \"uniprot_position\": 130}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"140\", \"component\": \"ARG\", \"entity_position\": 72, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.7416, \"uniprot_position\": 140}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"142\", \"component\": \"TRP\", \"entity_position\": 74, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8087, \"uniprot_position\": 142}]",
          "chain_id": "PDB:6OQM:CHAIN:A:UP:P52701",
          "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
          "contact_class": "native_annotation_core_contact",
          "contact_distance_rank": 1,
          "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"113\", \"component\": \"HIS\", \"entity_position\": 45, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.9691, \"uniprot_position\": 113}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"116\", \"component\": \"ASP\", \"entity_position\": 48, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4009, \"uniprot_position\": 116}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"130\", \"component\": \"HIS\", \"entity_position\": 62, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.1683, \"uniprot_position\": 130}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"140\", \"component\": \"ARG\", \"entity_position\": 72, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.7416, \"uniprot_position\": 140}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"142\", \"component\": \"TRP\", \"entity_position\": 74, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8087, \"uniprot_position\": 142}]",
          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:P52701:PWWP1",
          "exact_pwwp_contact": true,
          "gene": "MSH6",
          "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": "205",
            "ccd_id": "SO4",
            "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
            "component_context": "nonpolymer_component",
            "contacted_polymer_partners": "[{\"description\": \"DNA mismatch repair protein Msh6\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 130, \"uniprot_ids\": [\"P52701\"]}]",
            "covalent_connection_ids": "[]",
            "heavy_atom_row_count": 5,
            "ideal_CCD_SDF_is_source_pose": 0,
            "label_asym_id": "F",
            "label_seq_id": null,
            "ligand_instance_id": "PDB:6OQM:LIG:F:SO4:205:.",
            "nearest_polypeptide_distance_angstrom": 2.7416,
            "nearest_polypeptide_label_asym_id": "A",
            "occupancy_max": 0.33,
            "occupancy_min": 0.33,
            "pdb_id": "6OQM",
            "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"113\", \"component\": \"HIS\", \"entity_position\": 45, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.9691, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"116\", \"component\": \"ASP\", \"entity_position\": 48, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4009, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"130\", \"component\": \"HIS\", \"entity_position\": 62, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.1683, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"140\", \"component\": \"ARG\", \"entity_position\": 72, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.7416, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"142\", \"component\": \"TRP\", \"entity_position\": 74, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8087, \"uniprot_position\": null}]",
            "pose_kind": "deposited_source_coordinates",
            "reference_model": "1",
            "source_coordinate_file": "Structures/MSH6__HUMAN__P52701/Unclassified_Review/6OQM/original.cif",
            "source_coordinate_sha256": "a56fb9d51ad4436d3d8bd187a570af2e5abb25e5e52e2e3b8d472ba15d2dfed5",
            "unique_heavy_atom_names": 5
          },
          "ligand_instance_id": "PDB:6OQM:LIG:F:SO4:205:.",
          "ligand_label_asym_id": "F",
          "minimum_Pfam_distance_angstrom": 2.7416,
          "minimum_chain_distance_angstrom": 2.7416,
          "minimum_core_distance_angstrom": 2.7416,
          "multiple_contacting_mapped_chains": 0,
          "pdb_id": "6OQM",
          "protein_id": "UP:P52701",
          "protein_label_asym_id": "A",
          "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.",
          "role": "ion/additive",
          "role_category": "incidental",
          "site_id": "PDB:6OQM:LIG:F:SO4:205:.:SITE:UP:P52701:PWWP1:A",
          "source_coordinate_sha256": "a56fb9d51ad4436d3d8bd187a570af2e5abb25e5e52e2e3b8d472ba15d2dfed5"
        },
        {
          "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"99\", \"component\": \"LYS\", \"entity_position\": 31, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7092, \"uniprot_position\": 99}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"105\", \"component\": \"TRP\", \"entity_position\": 37, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7171, \"uniprot_position\": 105}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"164\", \"component\": \"HIS\", \"entity_position\": 96, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.1955, \"uniprot_position\": 164}]",
          "biochemical_activity_inferred": 0,
          "ccd_id": "SO4",
          "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"99\", \"component\": \"LYS\", \"entity_position\": 31, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7092, \"uniprot_position\": 99}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"105\", \"component\": \"TRP\", \"entity_position\": 37, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7171, \"uniprot_position\": 105}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"164\", \"component\": \"HIS\", \"entity_position\": 96, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.1955, \"uniprot_position\": 164}]",
          "chain_id": "PDB:6OQM:CHAIN:A:UP:P52701",
          "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
          "contact_class": "native_annotation_core_contact",
          "contact_distance_rank": 1,
          "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"99\", \"component\": \"LYS\", \"entity_position\": 31, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7092, \"uniprot_position\": 99}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"105\", \"component\": \"TRP\", \"entity_position\": 37, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7171, \"uniprot_position\": 105}]",
          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:P52701:PWWP1",
          "exact_pwwp_contact": true,
          "gene": "MSH6",
          "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": "206",
            "ccd_id": "SO4",
            "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
            "component_context": "nonpolymer_component",
            "contacted_polymer_partners": "[{\"description\": \"DNA mismatch repair protein Msh6\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 130, \"uniprot_ids\": [\"P52701\"]}]",
            "covalent_connection_ids": "[]",
            "heavy_atom_row_count": 5,
            "ideal_CCD_SDF_is_source_pose": 0,
            "label_asym_id": "G",
            "label_seq_id": null,
            "ligand_instance_id": "PDB:6OQM:LIG:G:SO4:206:.",
            "nearest_polypeptide_distance_angstrom": 3.1955,
            "nearest_polypeptide_label_asym_id": "A",
            "occupancy_max": 1.0,
            "occupancy_min": 1.0,
            "pdb_id": "6OQM",
            "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"99\", \"component\": \"LYS\", \"entity_position\": 31, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7092, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"105\", \"component\": \"TRP\", \"entity_position\": 37, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7171, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"164\", \"component\": \"HIS\", \"entity_position\": 96, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.1955, \"uniprot_position\": null}]",
            "pose_kind": "deposited_source_coordinates",
            "reference_model": "1",
            "source_coordinate_file": "Structures/MSH6__HUMAN__P52701/Unclassified_Review/6OQM/original.cif",
            "source_coordinate_sha256": "a56fb9d51ad4436d3d8bd187a570af2e5abb25e5e52e2e3b8d472ba15d2dfed5",
            "unique_heavy_atom_names": 5
          },
          "ligand_instance_id": "PDB:6OQM:LIG:G:SO4:206:.",
          "ligand_label_asym_id": "G",
          "minimum_Pfam_distance_angstrom": 3.1955,
          "minimum_chain_distance_angstrom": 3.1955,
          "minimum_core_distance_angstrom": 3.7092,
          "multiple_contacting_mapped_chains": 0,
          "pdb_id": "6OQM",
          "protein_id": "UP:P52701",
          "protein_label_asym_id": "A",
          "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.",
          "role": "ion/additive",
          "role_category": "incidental",
          "site_id": "PDB:6OQM:LIG:G:SO4:206:.:SITE:UP:P52701:PWWP1:A",
          "source_coordinate_sha256": "a56fb9d51ad4436d3d8bd187a570af2e5abb25e5e52e2e3b8d472ba15d2dfed5"
        }
      ],
      "context_assay_count": 0,
      "context_measured_count": 0,
      "context_bound_count": 1,
      "context_pdb_count": 1,
      "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": true,
        "component_site_count": 4,
        "verification_queue": false,
        "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": 0,
        "annotation_roles": [
          "components"
        ]
      },
      "science_label": "Other PDB component · not a studied ligand",
      "science_profile": {
        "annotation_roles": [
          "components"
        ],
        "cellular_activity": false,
        "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
        "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
        "entity_kind": "chemical_identity",
        "identity_resolved": true,
        "measured_observation_count": 0,
        "name": "SULFATE ION",
        "other_pdb_component": true,
        "other_site_count": 751,
        "positive_direct_binder": false,
        "primary_view": "components",
        "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": [
          "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:3PMI:LIG:E:SO4:2:.:SITE:UP:Q2TAK8:PWWP1:A",
          "PDB:9G91:LIG:F:SO4:104:.:SITE:UP:Q7Z4V5: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: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",
          "PDB:3QBY:LIG:R:SO4:94:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:7HG3:LIG:I:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:7HGY:LIG:I:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:7HHM:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:7HGL:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:7HHG:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:7HHI:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:7HGF:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:7HG8:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:7HH6:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:7HGS:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:7HHN:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:7HG1:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:7HGR:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:7HHO:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:7HH9:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:7HHP:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:9I7I:LIG:G:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:7HGV:LIG:I:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:7HH3:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:7HH5:LIG:J:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:7HHA:LIG:I:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:7HGM:LIG:I:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:7HH8:LIG:J:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:7HH2:LIG:I:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:7HGZ:LIG:J:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:6IIP:LIG:E:SO4:103:.:SITE:UP:Q9Y3E1:PWWP1:A",
          "PDB:4FU6:LIG:D:SO4:203:.:SITE:UP:O75475:PWWP1:A",
          "PDB:9G96:LIG:F:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:9I7D:LIG:E:SO4:203:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:9GRS:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:7HGQ:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:7HGH:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:7HG9:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:9GRT:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:7HHQ:LIG:H:SO4:105:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:9GRV:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:7HGG:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:7HGN:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:7HHR:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:9I7G:LIG:F:SO4:103:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:7HG3:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:7HHO:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:7HGB:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:7HHC:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:7HGS:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:7HGE:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:7HHD:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:7HHE:LIG:H:SO4:105:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:7HGR:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:7HHB:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:7HG2:LIG:H:SO4:105:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:7HGO:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:7HGI:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:7HHF:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:7HH8:LIG:H:SO4:105:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:7HGD:LIG:H:SO4:105:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:7HGY:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:7HHJ:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:7HG8:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:7HGA:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:7HH9:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:7HGZ:LIG:H:SO4:105:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:7HHK:LIG:H:SO4:105:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:7HHM:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:7HGX:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:7HH1:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:7HG5:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:7HH4:LIG:H:SO4:105:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:7HGC:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:7HHA:LIG:H:SO4:105:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:7HGF:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:7HH5:LIG:H:SO4:105:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:7HH2:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:7HH0:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:7HGP:LIG:H:SO4:105:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:7HH7:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:7HHL:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:7HH3:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:7HGM:LIG:H:SO4:105:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:7HG7:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:7HHG:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:7HGV:LIG:H:SO4:105:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:7HHH:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:7HGT:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:7HG6:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:7HGK:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:7HG4:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:7HHN:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:7HGJ:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:7HG0:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:7HGU:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:7HH6:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:7HGL:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:7HG1:LIG:G:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:7HHF:LIG:D:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:7HG5:LIG:D:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:7HH4:LIG:D:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:7HGF:LIG:D:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:7HGV:LIG:D:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:7HHD:LIG:D:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:7HHN:LIG:D:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:7HGB:LIG:D:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:7HGM:LIG:D:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:7HG9:LIG:D:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:7HGO:LIG:D:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:7HGP:LIG:D:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:7HG6:LIG:D:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:7HHR:LIG:D:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:7HGT:LIG:D:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:7HH9:LIG:D:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:9I7G:LIG:D:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:7HH0:LIG:D:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:7HGA:LIG:D:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:7HHL:LIG:D:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:7HH1:LIG:D:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:7HHC:LIG:D:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:7HGD:LIG:D:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:7HGC:LIG:D:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:7HG4:LIG:D:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:7HHE:LIG:D:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:7HGX:LIG:D:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:7HHI:LIG:D:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
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          "PDB:7HHK:LIG:D:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:7HGQ:LIG:D:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
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          "PDB:9I7I:LIG:D:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:A",
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          "PDB:9I7C:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
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          "PDB:9I7D:LIG:I:SO4:202:.:SITE:UP:Q7Z4V5:PWWP1:A",
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          "PDB:9I7B:LIG:G:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:6OQM:LIG:E:SO4:204:.:SITE:UP:P52701:PWWP1:A",
          "PDB:6OQM:LIG:G:SO4:206:.:SITE:UP:P52701:PWWP1:A",
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          "PDB:9I7B:LIG:H:SO4:103:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:3QBY:LIG:S:SO4:95:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HHH:LIG:I:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:B",
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          "PDB:7HHO:LIG:I:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HGU:LIG:I:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HGK:LIG:I:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:B",
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          "PDB:7HGJ:LIG:I:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HHK:LIG:J:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HG0:LIG:I:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HG9:LIG:I:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:9I7C:LIG:I:SO4:103:.:SITE:UP:Q7Z4V5:PWWP1:B",
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          "PDB:9GRU:LIG:I:SO4:103:.:SITE:UP:Q7Z4V5:PWWP1:B",
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          "PDB:7HHF:LIG:I:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HGZ:LIG:K:SO4:103:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HG2:LIG:J:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HGR:LIG:I:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HG5:LIG:I:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HG8:LIG:I:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HH9:LIG:I:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HGC:LIG:I:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HH7:LIG:I:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HGX:LIG:I:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HG7:LIG:I:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:9G96:LIG:H:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HHM:LIG:I:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HGD:LIG:J:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HH3:LIG:I:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:9GRV:LIG:I:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HGN:LIG:I:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HHJ:LIG:I:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HGY:LIG:J:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HHQ:LIG:J:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:9I7I:LIG:H:SO4:103:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:9GRT:LIG:I:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HG3:LIG:J:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HH4:LIG:J:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HG6:LIG:I:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HGP:LIG:K:SO4:103:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HHC:LIG:I:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HHN:LIG:I:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HGV:LIG:J:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HG1:LIG:I:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HH5:LIG:K:SO4:103:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HHD:LIG:I:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HGS:LIG:I:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HGT:LIG:I:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:9G91:LIG:K:SO4:105:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HHP:LIG:I:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:9G91:LIG:I:SO4:103:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HHG:LIG:I:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HH2:LIG:J:SO4:103:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HHE:LIG:J:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HGO:LIG:I:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HHI:LIG:I:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HH1:LIG:I:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HGB:LIG:I:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HHB:LIG:I:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HH6:LIG:I:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HHL:LIG:I:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HGM:LIG:J:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HG4:LIG:I:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:9GRS:LIG:I:SO4:103:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HH0:LIG:I:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HGF:LIG:I:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:9G96:LIG:I:SO4:103:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HGI:LIG:I:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HGG:LIG:I:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HGH:LIG:I:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HH8:LIG:K:SO4:103:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HHR:LIG:I:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HGW:LIG:I:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HGL:LIG:I:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:9I7D:LIG:J:SO4:203:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HGQ:LIG:I:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:9I7G:LIG:G:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:6IIP:LIG:I:SO4:103:.:SITE:UP:Q9Y3E1:PWWP1:B",
          "PDB:9I7G:LIG:H:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:9I7B:LIG:G:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:6IIP:LIG:E:SO4:103:.:SITE:UP:Q9Y3E1:PWWP1:B",
          "PDB:9KNA:LIG:J:SO4:402:.:SITE:UP:O96028:PWWP1:B",
          "PDB:9KNA:LIG:M:SO4:405:.:SITE:UP:O96028:PWWP1:B",
          "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:9KNA:LIG:D:SO4:402:.:SITE:UP:O96028:PWWP1:B",
          "PDB:9KN9:LIG:F:SO4:401:.:SITE:UP:O96028:PWWP1:A",
          "PDB:9KNA:LIG:E:SO4:403:.:SITE:UP:O96028:PWWP1:B",
          "PDB:9KNA:LIG:G:SO4:405:.:SITE:UP:O96028: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:3LLR:LIG:H:SO4:155:.:SITE:UP:Q9Y6K1: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:9KNA:LIG:H:SO4:406:.:SITE:UP:O96028:PWWP1:B",
          "PDB:9KN9:LIG:C:SO4:401:.:SITE:UP:O96028:PWWP1:A",
          "PDB:9G96:LIG:L:SO4:106:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:9G91:LIG:L:SO4:106:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:6IIP:LIG:H:SO4:102:.:SITE:UP:Q9Y3E1:PWWP1:B",
          "PDB:9I7G:LIG:E:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:9I7D:LIG:I:SO4:202:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HGP:LIG:J:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HGB:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HHJ:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:9GRT:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:9GRS:LIG:J:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:9I7D:LIG:K:SO4:204:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:9G96:LIG:J:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:9G91:LIG:H:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:8Z6C:LIG:I:SO4:103:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HGA:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HHG:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HHC:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HGY:LIG:I:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "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",
          "PDB:7HHL:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
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          "PDB:7HHQ:LIG:L:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
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          "PDB:7HG3:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
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          "PDB:7HH5:LIG:L:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
          "PDB:7HHE:LIG:L:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
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          "PDB:7HG7:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
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          "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",
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          "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"
        ],
        "structural_research_ligand": false,
        "structural_research_site_count": 0,
        "studied_compound": false,
        "total_observation_count": 0,
        "uncertain_site_count": 0,
        "uncertainty": "Classification is evidence- and experiment-scoped; missing assays do not prove nonbinding.",
        "verification_queue": false,
        "verification_status": "source_scoped_mixed"
      },
      "science_site_roles": {
        "PDB:6OQM:LIG:D:SO4:203:.:SITE:UP:P52701:PWWP1:A": {
          "ccd_url": "https://www.rcsb.org/ligand/SO4",
          "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
          "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
          "contact_class": "native_annotation_core_contact",
          "coordinate_sha256": "a56fb9d51ad4436d3d8bd187a570af2e5abb25e5e52e2e3b8d472ba15d2dfed5",
          "domain_id": "UP:P52701:PWWP1",
          "exact_pwwp_contact": true,
          "ligand_instance_id": "PDB:6OQM:LIG:D:SO4:203:.",
          "observed_other_component": true,
          "pdb_id": "6OQM",
          "protein_id": "UP:P52701",
          "role_code": "ion_or_salt",
          "role_group": "other_component",
          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:6OQM:LIG:D:SO4:203:.:SITE:UP:P52701:PWWP1:A",
          "source_role": "ion/additive",
          "source_url": "https://www.rcsb.org/structure/6OQM",
          "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:6OQM:LIG:E:SO4:204:.:SITE:UP:P52701:PWWP1:A": {
          "ccd_url": "https://www.rcsb.org/ligand/SO4",
          "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
          "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
          "contact_class": "native_annotation_core_contact",
          "coordinate_sha256": "a56fb9d51ad4436d3d8bd187a570af2e5abb25e5e52e2e3b8d472ba15d2dfed5",
          "domain_id": "UP:P52701:PWWP1",
          "exact_pwwp_contact": true,
          "ligand_instance_id": "PDB:6OQM:LIG:E:SO4:204:.",
          "observed_other_component": true,
          "pdb_id": "6OQM",
          "protein_id": "UP:P52701",
          "role_code": "ion_or_salt",
          "role_group": "other_component",
          "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",
          "source_role": "ion/additive",
          "source_url": "https://www.rcsb.org/structure/6OQM",
          "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:6OQM:LIG:F:SO4:205:.:SITE:UP:P52701:PWWP1:A": {
          "ccd_url": "https://www.rcsb.org/ligand/SO4",
          "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
          "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
          "contact_class": "native_annotation_core_contact",
          "coordinate_sha256": "a56fb9d51ad4436d3d8bd187a570af2e5abb25e5e52e2e3b8d472ba15d2dfed5",
          "domain_id": "UP:P52701:PWWP1",
          "exact_pwwp_contact": true,
          "ligand_instance_id": "PDB:6OQM:LIG:F:SO4:205:.",
          "observed_other_component": true,
          "pdb_id": "6OQM",
          "protein_id": "UP:P52701",
          "role_code": "ion_or_salt",
          "role_group": "other_component",
          "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",
          "source_role": "ion/additive",
          "source_url": "https://www.rcsb.org/structure/6OQM",
          "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:6OQM:LIG:G:SO4:206:.:SITE:UP:P52701:PWWP1:A": {
          "ccd_url": "https://www.rcsb.org/ligand/SO4",
          "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
          "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
          "contact_class": "native_annotation_core_contact",
          "coordinate_sha256": "a56fb9d51ad4436d3d8bd187a570af2e5abb25e5e52e2e3b8d472ba15d2dfed5",
          "domain_id": "UP:P52701:PWWP1",
          "exact_pwwp_contact": true,
          "ligand_instance_id": "PDB:6OQM:LIG:G:SO4:206:.",
          "observed_other_component": true,
          "pdb_id": "6OQM",
          "protein_id": "UP:P52701",
          "role_code": "ion_or_salt",
          "role_group": "other_component",
          "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",
          "source_role": "ion/additive",
          "source_url": "https://www.rcsb.org/structure/6OQM",
          "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"
        }
      },
      "science_assay_roles": {},
      "example": null,
      "matched_observations": [],
      "matched_assay_count": 0
    }
  ]
}