{
  "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:Q9UBC3:PWWP1",
    "bound": "",
    "pdb": "",
    "identity": "",
    "role": "",
    "method": "",
    "endpoint": "",
    "relation": "",
    "potency_min": "",
    "potency_max": "",
    "source": "",
    "year": "",
    "organism": "",
    "construct": "",
    "status": "",
    "missing": "",
    "scope": "relevant",
    "view": "components",
    "sort": ""
  },
  "compounds": [
    {
      "aliases": [
        "2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL",
        "Bis-Tris"
      ],
      "assay_count": 2,
      "associated_pdb_ids": [
        "3LLR",
        "3QKJ",
        "6KCU"
      ],
      "bound_structure_count": 3,
      "category": "Structure-supported identity",
      "chemical_id": "INCHIKEY:OWMVSZAMULFTJU-UHFFFAOYSA-N",
      "classifications": [],
      "compound_id": "INCHIKEY:OWMVSZAMULFTJU-UHFFFAOYSA-N",
      "curation_version": "phase5-1.0.0",
      "depiction": {
        "calculated_HBA": 6,
        "calculated_HBD": 5,
        "calculated_TPSA": 104.39,
        "calculated_formula": "C8H19NO5",
        "calculated_logP": -3.0113,
        "calculated_molecular_weight": 209.242,
        "computed_inchikey": "OWMVSZAMULFTJU-UHFFFAOYSA-N",
        "descriptor_scope": "RDKit calculation for the source identity; not an experimental measurement",
        "files": {
          "dark": "3099b5e34bac175388ca-dark.svg",
          "light": "3099b5e34bac175388ca-light.svg"
        },
        "rdkit_version": "2025.09.3",
        "status": "verified_smiles_full_inchikey_match"
      },
      "development_status": "Not independently curated",
      "domain_ids": [
        "UP:Q9UBC3:PWWP1",
        "UP:Q9VAA9:PWWP1",
        "UP:Q9Y6K1:PWWP1"
      ],
      "entity_kind": "chemical_identity",
      "genes": [
        "DNMT3A",
        "DNMT3B",
        "Jasper"
      ],
      "has_bioactivity_only": false,
      "has_source_conflict": false,
      "identity": {
        "aliases": [
          "2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL"
        ],
        "ccd_ids": [
          "BTB"
        ],
        "ccd_names": "[\"2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL\"]",
        "ccd_types": "[\"non-polymer\"]",
        "chemical_id": "INCHIKEY:OWMVSZAMULFTJU-UHFFFAOYSA-N",
        "connectivity_block": "OWMVSZAMULFTJU",
        "curated_source_sha256": null,
        "curation_version": "frozen-v1.2",
        "external_identifiers": {},
        "formal_charge_by_ccd": "{\"BTB\": 0}",
        "formulae": "[\"C8 H19 N O5\"]",
        "geometry_note": "CCD ideal SDF is a reference chemical geometry, not a deposited bound pose.",
        "identity_status": "complete_deposited_InChIKey",
        "inchikey": "OWMVSZAMULFTJU-UHFFFAOYSA-N",
        "inventory_origin": "v1_CCD_inventory",
        "isomeric_smiles": "C(CO)N(CCO)C(CO)(CO)CO",
        "primary_name": "2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL",
        "retrieval_date": "2026-10-24",
        "smiles_stereo_by_ccd": "{\"BTB\": \"C(CO)N(CCO)C(CO)(CO)CO\"}",
        "source_metadata_sha256": "{\"BTB\": \"9ecb6143d600fff5c257f040356e052be2e915cf861053ed9c8eeb26080329c2\"}",
        "source_urls": [
          "https://www.rcsb.org/ligand/BTB"
        ]
      },
      "identity_note": "Complete deposited identity retained; no connectivity-only or name-only merge.",
      "identity_resolved": true,
      "is_control": false,
      "is_probe": false,
      "measured_observation_count": 0,
      "name": "Bis-Tris",
      "negative_count": 0,
      "observation_ids": [
        "PWWP:ASSAY:0033",
        "PWWP:ASSAY:0034"
      ],
      "pdb_structure_count": 3,
      "preparation_count": 1,
      "preparation_ids": [
        "PREP:BIS-TRIS"
      ],
      "protein_ids": [
        "UP:Q9UBC3",
        "UP:Q9VAA9",
        "UP:Q9Y6K1"
      ],
      "relationships": [],
      "relevant": true,
      "search_text": "bis-tris inchikey:owmvszamulftju-uhfffaoysa-n 2-[bis-(2-hydroxy-ethyl)-amino]-2-hydroxymethyl-propane-1,3-diol bis-tris dnmt3a dnmt3b jasper up:q9ubc3:pwwp1 up:q9vaa9:pwwp1 up:q9y6k1:pwwp1 3llr 3qkj 6kcu {\"aliases\":[\"2-[bis-(2-hydroxy-ethyl)-amino]-2-hydroxymethyl-propane-1,3-diol\"],\"ccd_ids\":[\"btb\"],\"ccd_names\":\"[\\\"2-[bis-(2-hydroxy-ethyl)-amino]-2-hydroxymethyl-propane-1,3-diol\\\"]\",\"ccd_types\":\"[\\\"non-polymer\\\"]\",\"chemical_id\":\"inchikey:owmvszamulftju-uhfffaoysa-n\",\"connectivity_block\":\"owmvszamulftju\",\"curated_source_sha256\":null,\"curation_version\":\"frozen-v1.2\",\"external_identifiers\":{},\"formal_charge_by_ccd\":\"{\\\"btb\\\": 0}\",\"formulae\":\"[\\\"c8 h19 n o5\\\"]\",\"geometry_note\":\"ccd ideal sdf is a reference chemical geometry, not a deposited bound pose.\",\"identity_status\":\"complete_deposited_inchikey\",\"inchikey\":\"owmvszamulftju-uhfffaoysa-n\",\"inventory_origin\":\"v1_ccd_inventory\",\"isomeric_smiles\":\"c(co)n(cco)c(co)(co)co\",\"primary_name\":\"2-[bis-(2-hydroxy-ethyl)-amino]-2-hydroxymethyl-propane-1,3-diol\",\"retrieval_date\":\"2026-10-24\",\"smiles_stereo_by_ccd\":\"{\\\"btb\\\": \\\"c(co)n(cco)c(co)(co)co\\\"}\",\"source_metadata_sha256\":\"{\\\"btb\\\": \\\"9ecb6143d600fff5c257f040356e052be2e915cf861053ed9c8eeb26080329c2\\\"}\",\"source_urls\":[\"https://www.rcsb.org/ligand/btb\"]} pmid:21720545 2011 https://pmc.ncbi.nlm.nih.gov/articles/pmc3119473/ pmid:21720545 2011 https://pmc.ncbi.nlm.nih.gov/articles/pmc3119473/",
      "source_urls": [
        "https://pmc.ncbi.nlm.nih.gov/articles/PMC3119473/",
        "https://www.rcsb.org/ligand/BTB"
      ],
      "verification_pending": false,
      "context_observations": [
        {
          "DMSO_percent": null,
          "abstract_reported_endpoint": null,
          "abstract_reported_method": null,
          "abstract_reported_units": null,
          "abstract_reported_value": null,
          "assay_construct_end": null,
          "assay_construct_start": null,
          "assay_record_id": "PWWP:ASSAY:0034",
          "assay_type": "No pharmacological activity assigned",
          "assay_value_transferred_to_modeled_stereoisomers": 0,
          "audit_decision": "resolve_missing_CCD_to_BTB; retain_buffer_role",
          "baseline_assay_record": 1,
          "buffer": "Crystallization reservoir contains 0.1 M Bis-Tris; not an affinity assay",
          "ccd_id": "BTB",
          "ccd_mapping_source": null,
          "chemical_id": "INCHIKEY:OWMVSZAMULFTJU-UHFFFAOYSA-N",
          "chemical_identity_status": "exact_single_CCD_identity",
          "component_context": null,
          "compound_id": "INCHIKEY:OWMVSZAMULFTJU-UHFFFAOYSA-N",
          "compound_name": "Bis-Tris",
          "conditions": "{}",
          "crystallographic_component_ids": null,
          "curation_version": "frozen-v1.2",
          "domain": "PWWP",
          "domain_id": "UP:Q9UBC3:PWWP1",
          "endpoint": "Qualitative / association",
          "endpoint_label_status": null,
          "evidence_class": "structural_occupancy_association",
          "evidence_location": "Results: Trimethylated lysine histone recognition; crystallization methods",
          "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC3119473/",
          "gene": "DNMT3B",
          "interpretation": "Observed aromatic-cage occupancy by crystallization buffer. Do not classify as a validated pharmacological ligand.",
          "is_measured": false,
          "is_negative": false,
          "method": "No pharmacological activity assigned",
          "molecular_entity_type": "buffer_additive",
          "normalized_exact_uM": null,
          "numeric_transcription_status": "not_a_quantitative_affinity_record",
          "numeric_value_inferred_from_structure": 0,
          "organism": "Homo sapiens",
          "pH": 6.5,
          "pdb_id": "3QKJ",
          "preparation_id": "PREP:BIS-TRIS",
          "protein_id": "UP:Q9UBC3",
          "publication_year": 2011,
          "qualitative_result": null,
          "reference_id": "PMID:21720545",
          "remaining_uncertainty": "Pocket occupancy in high-concentration crystallization buffer is not evidence of potency.",
          "replicates": null,
          "role": "crystallization_buffer",
          "source_component_url": null,
          "source_database": "Primary literature (frozen Atlas)",
          "source_id": "S07",
          "source_measurement_key": "e1d9001b0df97f310adf5d8ba3e8027d3b12bfcabee5001c50c4734aaac67885",
          "source_original": {
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            "abstract_reported_endpoint": null,
            "abstract_reported_method": null,
            "abstract_reported_units": null,
            "abstract_reported_value": null,
            "assay_construct_end": null,
            "assay_construct_start": null,
            "assay_record_id": "PWWP:ASSAY:0034",
            "assay_type": "No pharmacological activity assigned",
            "assay_value_transferred_to_modeled_stereoisomers": 0,
            "audit_decision": "resolve_missing_CCD_to_BTB; retain_buffer_role",
            "baseline_assay_record": 1,
            "buffer": "Crystallization reservoir contains 0.1 M Bis-Tris; not an affinity assay",
            "ccd_id": "BTB",
            "ccd_mapping_source": null,
            "chemical_id": "INCHIKEY:OWMVSZAMULFTJU-UHFFFAOYSA-N",
            "chemical_identity_status": "exact_single_CCD_identity",
            "component_context": null,
            "compound_name": "Bis-Tris",
            "conditions": "{}",
            "crystallographic_component_ids": null,
            "domain": "PWWP",
            "domain_id": "UP:Q9UBC3:PWWP1",
            "endpoint_label_status": null,
            "evidence_class": "structural_occupancy_association",
            "evidence_location": "Results: Trimethylated lysine histone recognition; crystallization methods",
            "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC3119473/",
            "gene": "DNMT3B",
            "interpretation": "Observed aromatic-cage occupancy by crystallization buffer. Do not classify as a validated pharmacological ligand.",
            "molecular_entity_type": "buffer_additive",
            "numeric_transcription_status": "not_a_quantitative_affinity_record",
            "numeric_value_inferred_from_structure": 0,
            "pH": 6.5,
            "pdb_id": "3QKJ",
            "preparation_id": "PREP:BIS-TRIS",
            "protein_id": "UP:Q9UBC3",
            "qualitative_result": null,
            "reference_id": "PMID:21720545",
            "remaining_uncertainty": "Pocket occupancy in high-concentration crystallization buffer is not evidence of potency.",
            "replicates": null,
            "role": "crystallization_buffer",
            "source_component_url": null,
            "source_id": "S07",
            "source_reported_uncertainty": null,
            "source_reported_units": null,
            "source_reported_value": null,
            "source_verification_scope": "local_primary_full_text_XML; Tables 1-2, crystallization methods and ligand Results inspected",
            "temperature_C": null,
            "uncertainty": null,
            "uncertainty_type": null,
            "uncertainty_uM": null,
            "unit_conversion": null,
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            "verification_level": "primary_full_text_sections_verified"
          },
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          "source_reported_value": null,
          "source_verification_scope": "local_primary_full_text_XML; Tables 1-2, crystallization methods and ligand Results inspected",
          "target_scope": "domain_specific",
          "temperature_C": null,
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          "unit_conversion": null,
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          "verification_level": "primary_full_text_sections_verified"
        }
      ],
      "context_structures": [
        {
          "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"233\", \"component\": \"ILE\", \"entity_position\": 29, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5749, \"uniprot_position\": 233}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"236\", \"component\": \"PHE\", \"entity_position\": 32, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5026, \"uniprot_position\": 236}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"237\", \"component\": \"SER\", \"entity_position\": 33, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4686, \"uniprot_position\": 237}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"239\", \"component\": \"TRP\", \"entity_position\": 35, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6872, \"uniprot_position\": 239}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"263\", \"component\": \"TRP\", \"entity_position\": 59, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4451, \"uniprot_position\": 263}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"266\", \"component\": \"ASP\", \"entity_position\": 62, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.4424, \"uniprot_position\": 266}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"268\", \"component\": \"LYS\", \"entity_position\": 64, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6111, \"uniprot_position\": 268}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"270\", \"component\": \"SER\", \"entity_position\": 66, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4153, \"uniprot_position\": 270}]",
          "biochemical_activity_inferred": 0,
          "ccd_id": "BTB",
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          "chain_id": "PDB:3QKJ:CHAIN:A:UP:Q9UBC3",
          "chemical_id": "INCHIKEY:OWMVSZAMULFTJU-UHFFFAOYSA-N",
          "contact_class": "native_annotation_core_contact",
          "contact_distance_rank": 1,
          "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"233\", \"component\": \"ILE\", \"entity_position\": 29, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5749, \"uniprot_position\": 233}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"236\", \"component\": \"PHE\", \"entity_position\": 32, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5026, \"uniprot_position\": 236}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"237\", \"component\": \"SER\", \"entity_position\": 33, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4686, \"uniprot_position\": 237}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"239\", \"component\": \"TRP\", \"entity_position\": 35, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6872, \"uniprot_position\": 239}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"263\", \"component\": \"TRP\", \"entity_position\": 59, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4451, \"uniprot_position\": 263}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"266\", \"component\": \"ASP\", \"entity_position\": 62, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.4424, \"uniprot_position\": 266}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"268\", \"component\": \"LYS\", \"entity_position\": 64, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6111, \"uniprot_position\": 268}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"270\", \"component\": \"SER\", \"entity_position\": 66, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4153, \"uniprot_position\": 270}]",
          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
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            "chemical_id": "INCHIKEY:OWMVSZAMULFTJU-UHFFFAOYSA-N",
            "component_context": "nonpolymer_component",
            "contacted_polymer_partners": "[{\"description\": \"DNA cytosine-5 methyltransferase 3 beta isoform 6 variant\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 151, \"uniprot_ids\": [\"Q9UBC3\"]}]",
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            "heavy_atom_row_count": 14,
            "ideal_CCD_SDF_is_source_pose": 0,
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            "ligand_instance_id": "PDB:3QKJ:LIG:E:BTB:356:.",
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            "occupancy_max": 1.0,
            "occupancy_min": 1.0,
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            "pose_kind": "deposited_source_coordinates",
            "reference_model": "1",
            "source_coordinate_file": "Structures/DNMT3B__HUMAN__Q9UBC3/APO/3QKJ/original.cif",
            "source_coordinate_sha256": "e94a2082f64ba107b7c13187a1af6dc528db6e5340be742ad57500d752199174",
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          "ligand_instance_id": "PDB:3QKJ:LIG:E:BTB:356:.",
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          "minimum_Pfam_distance_angstrom": 2.4424,
          "minimum_chain_distance_angstrom": 2.4424,
          "minimum_core_distance_angstrom": 2.4424,
          "multiple_contacting_mapped_chains": 0,
          "pdb_id": "3QKJ",
          "protein_id": "UP:Q9UBC3",
          "protein_label_asym_id": "A",
          "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.",
          "role": "buffer/additive",
          "role_category": "incidental",
          "site_id": "PDB:3QKJ:LIG:E:BTB:356:.:SITE:UP:Q9UBC3:PWWP1:A",
          "source_coordinate_sha256": "e94a2082f64ba107b7c13187a1af6dc528db6e5340be742ad57500d752199174"
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          "chemical_id": "INCHIKEY:OWMVSZAMULFTJU-UHFFFAOYSA-N",
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          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:Q9UBC3:PWWP1",
          "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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            "alternate_locations": "[]",
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            "ccd_id": "BTB",
            "chemical_id": "INCHIKEY:OWMVSZAMULFTJU-UHFFFAOYSA-N",
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            "covalent_connection_ids": "[]",
            "heavy_atom_row_count": 14,
            "ideal_CCD_SDF_is_source_pose": 0,
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            "label_seq_id": null,
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            "pose_kind": "deposited_source_coordinates",
            "reference_model": "1",
            "source_coordinate_file": "Structures/DNMT3B__HUMAN__Q9UBC3/APO/3QKJ/original.cif",
            "source_coordinate_sha256": "e94a2082f64ba107b7c13187a1af6dc528db6e5340be742ad57500d752199174",
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          "ligand_instance_id": "PDB:3QKJ:LIG:H:BTB:356:.",
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          "minimum_chain_distance_angstrom": 2.4453,
          "minimum_core_distance_angstrom": 2.4453,
          "multiple_contacting_mapped_chains": 0,
          "pdb_id": "3QKJ",
          "protein_id": "UP:Q9UBC3",
          "protein_label_asym_id": "B",
          "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.",
          "role": "buffer/additive",
          "role_category": "incidental",
          "site_id": "PDB:3QKJ:LIG:H:BTB:356:.:SITE:UP:Q9UBC3:PWWP1:B",
          "source_coordinate_sha256": "e94a2082f64ba107b7c13187a1af6dc528db6e5340be742ad57500d752199174"
        },
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          "biochemical_activity_inferred": 0,
          "ccd_id": "BTB",
          "chain_contacts_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"231\", \"component\": \"GLY\", \"entity_position\": 27, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.9815, \"uniprot_position\": 231}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"233\", \"component\": \"ILE\", \"entity_position\": 29, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.5857, \"uniprot_position\": 233}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"236\", \"component\": \"PHE\", \"entity_position\": 32, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.8222, \"uniprot_position\": 236}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"237\", \"component\": \"SER\", \"entity_position\": 33, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.6969, \"uniprot_position\": 237}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"239\", \"component\": \"TRP\", \"entity_position\": 35, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.606, \"uniprot_position\": 239}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"263\", \"component\": \"TRP\", \"entity_position\": 59, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.4951, \"uniprot_position\": 263}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"266\", \"component\": \"ASP\", \"entity_position\": 62, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3821, \"uniprot_position\": 266}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"268\", \"component\": \"LYS\", \"entity_position\": 64, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.6177, \"uniprot_position\": 268}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"270\", \"component\": \"SER\", \"entity_position\": 66, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.5318, \"uniprot_position\": 270}]",
          "chain_id": "PDB:3QKJ:CHAIN:C:UP:Q9UBC3",
          "chemical_id": "INCHIKEY:OWMVSZAMULFTJU-UHFFFAOYSA-N",
          "contact_class": "native_annotation_core_contact",
          "contact_distance_rank": 1,
          "core_contacts_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"231\", \"component\": \"GLY\", \"entity_position\": 27, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.9815, \"uniprot_position\": 231}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"233\", \"component\": \"ILE\", \"entity_position\": 29, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.5857, \"uniprot_position\": 233}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"236\", \"component\": \"PHE\", \"entity_position\": 32, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.8222, \"uniprot_position\": 236}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"237\", \"component\": \"SER\", \"entity_position\": 33, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.6969, \"uniprot_position\": 237}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"239\", \"component\": \"TRP\", \"entity_position\": 35, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.606, \"uniprot_position\": 239}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"263\", \"component\": \"TRP\", \"entity_position\": 59, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.4951, \"uniprot_position\": 263}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"266\", \"component\": \"ASP\", \"entity_position\": 62, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3821, \"uniprot_position\": 266}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"268\", \"component\": \"LYS\", \"entity_position\": 64, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.6177, \"uniprot_position\": 268}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"270\", \"component\": \"SER\", \"entity_position\": 66, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.5318, \"uniprot_position\": 270}]",
          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:Q9UBC3:PWWP1",
          "exact_pwwp_contact": true,
          "gene": "DNMT3B",
          "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion",
          "instance": {
            "alternate_locations": "[]",
            "auth_asym_ids": "[\"C\"]",
            "auth_seq_id": "356",
            "ccd_id": "BTB",
            "chemical_id": "INCHIKEY:OWMVSZAMULFTJU-UHFFFAOYSA-N",
            "component_context": "nonpolymer_component",
            "contacted_polymer_partners": "[{\"description\": \"DNA cytosine-5 methyltransferase 3 beta isoform 6 variant\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"C\", \"sequence_length\": 151, \"uniprot_ids\": [\"Q9UBC3\"]}]",
            "covalent_connection_ids": "[]",
            "heavy_atom_row_count": 14,
            "ideal_CCD_SDF_is_source_pose": 0,
            "label_asym_id": "K",
            "label_seq_id": null,
            "ligand_instance_id": "PDB:3QKJ:LIG:K:BTB:356:.",
            "nearest_polypeptide_distance_angstrom": 2.3821,
            "nearest_polypeptide_label_asym_id": "C",
            "occupancy_max": 1.0,
            "occupancy_min": 1.0,
            "pdb_id": "3QKJ",
            "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"231\", \"component\": \"GLY\", \"entity_position\": 27, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.9815, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"233\", \"component\": \"ILE\", \"entity_position\": 29, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.5857, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"236\", \"component\": \"PHE\", \"entity_position\": 32, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.8222, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"237\", \"component\": \"SER\", \"entity_position\": 33, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.6969, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"239\", \"component\": \"TRP\", \"entity_position\": 35, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.606, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"263\", \"component\": \"TRP\", \"entity_position\": 59, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.4951, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"266\", \"component\": \"ASP\", \"entity_position\": 62, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3821, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"268\", \"component\": \"LYS\", \"entity_position\": 64, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.6177, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"270\", \"component\": \"SER\", \"entity_position\": 66, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.5318, \"uniprot_position\": null}]",
            "pose_kind": "deposited_source_coordinates",
            "reference_model": "1",
            "source_coordinate_file": "Structures/DNMT3B__HUMAN__Q9UBC3/APO/3QKJ/original.cif",
            "source_coordinate_sha256": "e94a2082f64ba107b7c13187a1af6dc528db6e5340be742ad57500d752199174",
            "unique_heavy_atom_names": 14
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          "ligand_instance_id": "PDB:3QKJ:LIG:K:BTB:356:.",
          "ligand_label_asym_id": "K",
          "minimum_Pfam_distance_angstrom": 2.3821,
          "minimum_chain_distance_angstrom": 2.3821,
          "minimum_core_distance_angstrom": 2.3821,
          "multiple_contacting_mapped_chains": 0,
          "pdb_id": "3QKJ",
          "protein_id": "UP:Q9UBC3",
          "protein_label_asym_id": "C",
          "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.",
          "role": "buffer/additive",
          "role_category": "incidental",
          "site_id": "PDB:3QKJ:LIG:K:BTB:356:.:SITE:UP:Q9UBC3:PWWP1:C",
          "source_coordinate_sha256": "e94a2082f64ba107b7c13187a1af6dc528db6e5340be742ad57500d752199174"
        },
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          "Pfam_contacts_5A": "[{\"auth_asym_id\": \"D\", \"auth_seq_id\": \"231\", \"component\": \"GLY\", \"entity_position\": 27, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.9155, \"uniprot_position\": 231}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"233\", \"component\": \"ILE\", \"entity_position\": 29, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.613, \"uniprot_position\": 233}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"236\", \"component\": \"PHE\", \"entity_position\": 32, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.608, \"uniprot_position\": 236}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"237\", \"component\": \"SER\", \"entity_position\": 33, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.7008, \"uniprot_position\": 237}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"239\", \"component\": \"TRP\", \"entity_position\": 35, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.4494, \"uniprot_position\": 239}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"263\", \"component\": \"TRP\", \"entity_position\": 59, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.621, \"uniprot_position\": 263}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"266\", \"component\": \"ASP\", \"entity_position\": 62, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.5326, \"uniprot_position\": 266}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"268\", \"component\": \"LYS\", \"entity_position\": 64, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.6613, \"uniprot_position\": 268}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"270\", \"component\": \"SER\", \"entity_position\": 66, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.7974, \"uniprot_position\": 270}]",
          "biochemical_activity_inferred": 0,
          "ccd_id": "BTB",
          "chain_contacts_5A": "[{\"auth_asym_id\": \"D\", \"auth_seq_id\": \"231\", \"component\": \"GLY\", \"entity_position\": 27, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.9155, \"uniprot_position\": 231}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"233\", \"component\": \"ILE\", \"entity_position\": 29, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.613, \"uniprot_position\": 233}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"236\", \"component\": \"PHE\", \"entity_position\": 32, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.608, \"uniprot_position\": 236}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"237\", \"component\": \"SER\", \"entity_position\": 33, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.7008, \"uniprot_position\": 237}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"239\", \"component\": \"TRP\", \"entity_position\": 35, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.4494, \"uniprot_position\": 239}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"263\", \"component\": \"TRP\", \"entity_position\": 59, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.621, \"uniprot_position\": 263}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"266\", \"component\": \"ASP\", \"entity_position\": 62, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.5326, \"uniprot_position\": 266}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"268\", \"component\": \"LYS\", \"entity_position\": 64, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.6613, \"uniprot_position\": 268}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"270\", \"component\": \"SER\", \"entity_position\": 66, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.7974, \"uniprot_position\": 270}]",
          "chain_id": "PDB:3QKJ:CHAIN:D:UP:Q9UBC3",
          "chemical_id": "INCHIKEY:OWMVSZAMULFTJU-UHFFFAOYSA-N",
          "contact_class": "native_annotation_core_contact",
          "contact_distance_rank": 1,
          "core_contacts_5A": "[{\"auth_asym_id\": \"D\", \"auth_seq_id\": \"231\", \"component\": \"GLY\", \"entity_position\": 27, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.9155, \"uniprot_position\": 231}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"233\", \"component\": \"ILE\", \"entity_position\": 29, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.613, \"uniprot_position\": 233}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"236\", \"component\": \"PHE\", \"entity_position\": 32, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.608, \"uniprot_position\": 236}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"237\", \"component\": \"SER\", \"entity_position\": 33, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.7008, \"uniprot_position\": 237}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"239\", \"component\": \"TRP\", \"entity_position\": 35, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.4494, \"uniprot_position\": 239}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"263\", \"component\": \"TRP\", \"entity_position\": 59, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.621, \"uniprot_position\": 263}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"266\", \"component\": \"ASP\", \"entity_position\": 62, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.5326, \"uniprot_position\": 266}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"268\", \"component\": \"LYS\", \"entity_position\": 64, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.6613, \"uniprot_position\": 268}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"270\", \"component\": \"SER\", \"entity_position\": 66, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.7974, \"uniprot_position\": 270}]",
          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:Q9UBC3:PWWP1",
          "exact_pwwp_contact": true,
          "gene": "DNMT3B",
          "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion",
          "instance": {
            "alternate_locations": "[]",
            "auth_asym_ids": "[\"D\"]",
            "auth_seq_id": "356",
            "ccd_id": "BTB",
            "chemical_id": "INCHIKEY:OWMVSZAMULFTJU-UHFFFAOYSA-N",
            "component_context": "nonpolymer_component",
            "contacted_polymer_partners": "[{\"description\": \"DNA cytosine-5 methyltransferase 3 beta isoform 6 variant\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"D\", \"sequence_length\": 151, \"uniprot_ids\": [\"Q9UBC3\"]}]",
            "covalent_connection_ids": "[]",
            "heavy_atom_row_count": 14,
            "ideal_CCD_SDF_is_source_pose": 0,
            "label_asym_id": "L",
            "label_seq_id": null,
            "ligand_instance_id": "PDB:3QKJ:LIG:L:BTB:356:.",
            "nearest_polypeptide_distance_angstrom": 2.5326,
            "nearest_polypeptide_label_asym_id": "D",
            "occupancy_max": 1.0,
            "occupancy_min": 1.0,
            "pdb_id": "3QKJ",
            "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"D\", \"auth_seq_id\": \"231\", \"component\": \"GLY\", \"entity_position\": 27, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.9155, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"233\", \"component\": \"ILE\", \"entity_position\": 29, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.613, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"236\", \"component\": \"PHE\", \"entity_position\": 32, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.608, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"237\", \"component\": \"SER\", \"entity_position\": 33, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.7008, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"239\", \"component\": \"TRP\", \"entity_position\": 35, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.4494, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"263\", \"component\": \"TRP\", \"entity_position\": 59, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.621, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"266\", \"component\": \"ASP\", \"entity_position\": 62, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.5326, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"268\", \"component\": \"LYS\", \"entity_position\": 64, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.6613, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"270\", \"component\": \"SER\", \"entity_position\": 66, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.7974, \"uniprot_position\": null}]",
            "pose_kind": "deposited_source_coordinates",
            "reference_model": "1",
            "source_coordinate_file": "Structures/DNMT3B__HUMAN__Q9UBC3/APO/3QKJ/original.cif",
            "source_coordinate_sha256": "e94a2082f64ba107b7c13187a1af6dc528db6e5340be742ad57500d752199174",
            "unique_heavy_atom_names": 14
          },
          "ligand_instance_id": "PDB:3QKJ:LIG:L:BTB:356:.",
          "ligand_label_asym_id": "L",
          "minimum_Pfam_distance_angstrom": 2.5326,
          "minimum_chain_distance_angstrom": 2.5326,
          "minimum_core_distance_angstrom": 2.5326,
          "multiple_contacting_mapped_chains": 0,
          "pdb_id": "3QKJ",
          "protein_id": "UP:Q9UBC3",
          "protein_label_asym_id": "D",
          "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.",
          "role": "buffer/additive",
          "role_category": "incidental",
          "site_id": "PDB:3QKJ:LIG:L:BTB:356:.:SITE:UP:Q9UBC3:PWWP1:D",
          "source_coordinate_sha256": "e94a2082f64ba107b7c13187a1af6dc528db6e5340be742ad57500d752199174"
        }
      ],
      "context_assay_count": 1,
      "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:OWMVSZAMULFTJU-UHFFFAOYSA-N",
        "compound_id": "INCHIKEY:OWMVSZAMULFTJU-UHFFFAOYSA-N",
        "entity_kind": "chemical_identity",
        "identity_resolved": true,
        "measured_observation_count": 0,
        "name": "Bis-Tris",
        "other_pdb_component": true,
        "other_site_count": 11,
        "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": [
          "PWWP:ASSAY:0033",
          "PWWP:ASSAY:0034"
        ],
        "source_site_ids": [
          "PDB:3LLR:LIG:I:BTB:154:.:SITE:UP:Q9Y6K1:PWWP1:E",
          "PDB:6KCU:LIG:B:BTB:800:.:SITE:UP:Q9VAA9:PWWP1:A",
          "PDB:3QKJ:LIG:E:BTB:356:.:SITE:UP:Q9UBC3:PWWP1:A",
          "PDB:3LLR:LIG:F:BTB:154:.:SITE:UP:Q9Y6K1:PWWP1:A",
          "PDB:3QKJ:LIG:H:BTB:356:.:SITE:UP:Q9UBC3:PWWP1:B",
          "PDB:3LLR:LIG:G:BTB:154:.:SITE:UP:Q9Y6K1:PWWP1:B",
          "PDB:3QKJ:LIG:K:BTB:356:.:SITE:UP:Q9UBC3:PWWP1:C",
          "PDB:3LLR:LIG:I:BTB:154:.:SITE:UP:Q9Y6K1:PWWP1:C",
          "PDB:3QKJ:LIG:L:BTB:356:.:SITE:UP:Q9UBC3:PWWP1:D",
          "PDB:3LLR:LIG:J:BTB:154:.:SITE:UP:Q9Y6K1:PWWP1:D",
          "PDB:3LLR:LIG:K:BTB:154:.:SITE:UP:Q9Y6K1:PWWP1:E"
        ],
        "structural_research_ligand": false,
        "structural_research_site_count": 0,
        "studied_compound": false,
        "total_observation_count": 2,
        "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:3QKJ:LIG:E:BTB:356:.:SITE:UP:Q9UBC3:PWWP1:A": {
          "ccd_url": "https://www.rcsb.org/ligand/BTB",
          "chemical_id": "INCHIKEY:OWMVSZAMULFTJU-UHFFFAOYSA-N",
          "compound_id": "INCHIKEY:OWMVSZAMULFTJU-UHFFFAOYSA-N",
          "contact_class": "native_annotation_core_contact",
          "coordinate_sha256": "e94a2082f64ba107b7c13187a1af6dc528db6e5340be742ad57500d752199174",
          "domain_id": "UP:Q9UBC3:PWWP1",
          "exact_pwwp_contact": true,
          "ligand_instance_id": "PDB:3QKJ:LIG:E:BTB:356:.",
          "observed_other_component": true,
          "pdb_id": "3QKJ",
          "protein_id": "UP:Q9UBC3",
          "role_code": "buffer_component",
          "role_group": "other_component",
          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:3QKJ:LIG:E:BTB:356:.:SITE:UP:Q9UBC3:PWWP1:A",
          "source_role": "buffer/additive",
          "source_url": "https://www.rcsb.org/structure/3QKJ",
          "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:3QKJ:LIG:H:BTB:356:.:SITE:UP:Q9UBC3:PWWP1:B": {
          "ccd_url": "https://www.rcsb.org/ligand/BTB",
          "chemical_id": "INCHIKEY:OWMVSZAMULFTJU-UHFFFAOYSA-N",
          "compound_id": "INCHIKEY:OWMVSZAMULFTJU-UHFFFAOYSA-N",
          "contact_class": "native_annotation_core_contact",
          "coordinate_sha256": "e94a2082f64ba107b7c13187a1af6dc528db6e5340be742ad57500d752199174",
          "domain_id": "UP:Q9UBC3:PWWP1",
          "exact_pwwp_contact": true,
          "ligand_instance_id": "PDB:3QKJ:LIG:H:BTB:356:.",
          "observed_other_component": true,
          "pdb_id": "3QKJ",
          "protein_id": "UP:Q9UBC3",
          "role_code": "buffer_component",
          "role_group": "other_component",
          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:3QKJ:LIG:H:BTB:356:.:SITE:UP:Q9UBC3:PWWP1:B",
          "source_role": "buffer/additive",
          "source_url": "https://www.rcsb.org/structure/3QKJ",
          "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:3QKJ:LIG:K:BTB:356:.:SITE:UP:Q9UBC3:PWWP1:C": {
          "ccd_url": "https://www.rcsb.org/ligand/BTB",
          "chemical_id": "INCHIKEY:OWMVSZAMULFTJU-UHFFFAOYSA-N",
          "compound_id": "INCHIKEY:OWMVSZAMULFTJU-UHFFFAOYSA-N",
          "contact_class": "native_annotation_core_contact",
          "coordinate_sha256": "e94a2082f64ba107b7c13187a1af6dc528db6e5340be742ad57500d752199174",
          "domain_id": "UP:Q9UBC3:PWWP1",
          "exact_pwwp_contact": true,
          "ligand_instance_id": "PDB:3QKJ:LIG:K:BTB:356:.",
          "observed_other_component": true,
          "pdb_id": "3QKJ",
          "protein_id": "UP:Q9UBC3",
          "role_code": "buffer_component",
          "role_group": "other_component",
          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:3QKJ:LIG:K:BTB:356:.:SITE:UP:Q9UBC3:PWWP1:C",
          "source_role": "buffer/additive",
          "source_url": "https://www.rcsb.org/structure/3QKJ",
          "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:3QKJ:LIG:L:BTB:356:.:SITE:UP:Q9UBC3:PWWP1:D": {
          "ccd_url": "https://www.rcsb.org/ligand/BTB",
          "chemical_id": "INCHIKEY:OWMVSZAMULFTJU-UHFFFAOYSA-N",
          "compound_id": "INCHIKEY:OWMVSZAMULFTJU-UHFFFAOYSA-N",
          "contact_class": "native_annotation_core_contact",
          "coordinate_sha256": "e94a2082f64ba107b7c13187a1af6dc528db6e5340be742ad57500d752199174",
          "domain_id": "UP:Q9UBC3:PWWP1",
          "exact_pwwp_contact": true,
          "ligand_instance_id": "PDB:3QKJ:LIG:L:BTB:356:.",
          "observed_other_component": true,
          "pdb_id": "3QKJ",
          "protein_id": "UP:Q9UBC3",
          "role_code": "buffer_component",
          "role_group": "other_component",
          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:3QKJ:LIG:L:BTB:356:.:SITE:UP:Q9UBC3:PWWP1:D",
          "source_role": "buffer/additive",
          "source_url": "https://www.rcsb.org/structure/3QKJ",
          "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": {
        "PWWP:ASSAY:0034": {
          "chemical_id": "INCHIKEY:OWMVSZAMULFTJU-UHFFFAOYSA-N",
          "compound_id": "INCHIKEY:OWMVSZAMULFTJU-UHFFFAOYSA-N",
          "domain_id": "UP:Q9UBC3:PWWP1",
          "endpoint": "Qualitative / association",
          "evidence_type": "structural_association_only",
          "explicitly_negative": false,
          "measured": false,
          "method": "No pharmacological activity assigned",
          "molecular_entity_type": "buffer_additive",
          "observation_id": "PWWP:ASSAY:0034",
          "operator": null,
          "positive_direct_binder": false,
          "preparation_id": "PREP:BIS-TRIS",
          "protein_id": "UP:Q9UBC3",
          "remaining_uncertainty": "Pocket occupancy in high-concentration crystallization buffer is not evidence of potency.",
          "reported_cellular": false,
          "reported_control": false,
          "reported_probe": false,
          "rule": "Phase5 source-curated evidence_class, material, target_scope, source role; no inferred affinities",
          "source_id": "S07",
          "source_location": "Results: Trimethylated lysine histone recognition; crystallization methods",
          "source_role": "crystallization_buffer",
          "source_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC3119473/",
          "source_verification_scope": "local_primary_full_text_XML; Tables 1-2, crystallization methods and ligand Results inspected",
          "studied_compound": false,
          "target_scope": "domain_specific",
          "target_variant": null,
          "units": null,
          "value": null,
          "verification_status": "primary_full_text_sections_verified"
        }
      },
      "example": null,
      "matched_observations": [
        {
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          "abstract_reported_endpoint": null,
          "abstract_reported_method": null,
          "abstract_reported_units": null,
          "abstract_reported_value": null,
          "assay_construct_end": null,
          "assay_construct_start": null,
          "assay_record_id": "PWWP:ASSAY:0034",
          "assay_type": "No pharmacological activity assigned",
          "assay_value_transferred_to_modeled_stereoisomers": 0,
          "audit_decision": "resolve_missing_CCD_to_BTB; retain_buffer_role",
          "baseline_assay_record": 1,
          "buffer": "Crystallization reservoir contains 0.1 M Bis-Tris; not an affinity assay",
          "ccd_id": "BTB",
          "ccd_mapping_source": null,
          "chemical_id": "INCHIKEY:OWMVSZAMULFTJU-UHFFFAOYSA-N",
          "chemical_identity_status": "exact_single_CCD_identity",
          "component_context": null,
          "compound_id": "INCHIKEY:OWMVSZAMULFTJU-UHFFFAOYSA-N",
          "compound_name": "Bis-Tris",
          "conditions": "{}",
          "crystallographic_component_ids": null,
          "curation_version": "frozen-v1.2",
          "domain": "PWWP",
          "domain_id": "UP:Q9UBC3:PWWP1",
          "endpoint": "Qualitative / association",
          "endpoint_label_status": null,
          "evidence_class": "structural_occupancy_association",
          "evidence_location": "Results: Trimethylated lysine histone recognition; crystallization methods",
          "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC3119473/",
          "gene": "DNMT3B",
          "interpretation": "Observed aromatic-cage occupancy by crystallization buffer. Do not classify as a validated pharmacological ligand.",
          "is_measured": false,
          "is_negative": false,
          "method": "No pharmacological activity assigned",
          "molecular_entity_type": "buffer_additive",
          "normalized_exact_uM": null,
          "numeric_transcription_status": "not_a_quantitative_affinity_record",
          "numeric_value_inferred_from_structure": 0,
          "organism": "Homo sapiens",
          "pH": 6.5,
          "pdb_id": "3QKJ",
          "preparation_id": "PREP:BIS-TRIS",
          "protein_id": "UP:Q9UBC3",
          "publication_year": 2011,
          "qualitative_result": null,
          "reference_id": "PMID:21720545",
          "remaining_uncertainty": "Pocket occupancy in high-concentration crystallization buffer is not evidence of potency.",
          "replicates": null,
          "role": "crystallization_buffer",
          "source_component_url": null,
          "source_database": "Primary literature (frozen Atlas)",
          "source_id": "S07",
          "source_measurement_key": "e1d9001b0df97f310adf5d8ba3e8027d3b12bfcabee5001c50c4734aaac67885",
          "source_original": {
            "DMSO_percent": null,
            "abstract_reported_endpoint": null,
            "abstract_reported_method": null,
            "abstract_reported_units": null,
            "abstract_reported_value": null,
            "assay_construct_end": null,
            "assay_construct_start": null,
            "assay_record_id": "PWWP:ASSAY:0034",
            "assay_type": "No pharmacological activity assigned",
            "assay_value_transferred_to_modeled_stereoisomers": 0,
            "audit_decision": "resolve_missing_CCD_to_BTB; retain_buffer_role",
            "baseline_assay_record": 1,
            "buffer": "Crystallization reservoir contains 0.1 M Bis-Tris; not an affinity assay",
            "ccd_id": "BTB",
            "ccd_mapping_source": null,
            "chemical_id": "INCHIKEY:OWMVSZAMULFTJU-UHFFFAOYSA-N",
            "chemical_identity_status": "exact_single_CCD_identity",
            "component_context": null,
            "compound_name": "Bis-Tris",
            "conditions": "{}",
            "crystallographic_component_ids": null,
            "domain": "PWWP",
            "domain_id": "UP:Q9UBC3:PWWP1",
            "endpoint_label_status": null,
            "evidence_class": "structural_occupancy_association",
            "evidence_location": "Results: Trimethylated lysine histone recognition; crystallization methods",
            "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC3119473/",
            "gene": "DNMT3B",
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            "source_reported_units": null,
            "source_reported_value": null,
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      "aliases": [
        "GLYCEROL"
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      "assay_count": 0,
      "associated_pdb_ids": [
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        "9KNA"
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      "compound_id": "INCHIKEY:PEDCQBHIVMGVHV-UHFFFAOYSA-N",
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        "calculated_formula": "C3H8O3",
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        "descriptor_scope": "RDKit calculation for the source identity; not an experimental measurement",
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      "development_status": "Not independently curated",
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        "PSIP1",
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          "GLYCEROL"
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          "GOL"
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        "ccd_names": "[\"GLYCEROL\"]",
        "ccd_types": "[\"non-polymer\"]",
        "chemical_id": "INCHIKEY:PEDCQBHIVMGVHV-UHFFFAOYSA-N",
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        "formulae": "[\"C3 H8 O3\"]",
        "geometry_note": "CCD ideal SDF is a reference chemical geometry, not a deposited bound pose.",
        "identity_status": "complete_deposited_InChIKey",
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      "identity_note": "complete_deposited_InChIKey",
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        "UP:Q6NUJ5",
        "UP:Q7Z4V5",
        "UP:Q9UBC3"
      ],
      "relationships": [],
      "relevant": false,
      "search_text": "glycerol inchikey:pedcqbhivmgvhv-uhfffaoysa-n glycerol dnmt3b hdgfl2 nsd2 psip1 pwwp2b up:o75475:pwwp1 up:o96028:pwwp1 up:q6nuj5:pwwp1 up:q7z4v5:pwwp1 up:q9ubc3:pwwp1 4fu6 4ld6 5ciu 5y1z 9i7d 9kna {\"aliases\":[\"glycerol\"],\"ccd_ids\":[\"gol\"],\"ccd_names\":\"[\\\"glycerol\\\"]\",\"ccd_types\":\"[\\\"non-polymer\\\"]\",\"chemical_id\":\"inchikey:pedcqbhivmgvhv-uhfffaoysa-n\",\"connectivity_block\":\"pedcqbhivmgvhv\",\"curated_source_sha256\":null,\"curation_version\":\"frozen-v1.2\",\"external_identifiers\":{},\"formal_charge_by_ccd\":\"{\\\"gol\\\": 0}\",\"formulae\":\"[\\\"c3 h8 o3\\\"]\",\"geometry_note\":\"ccd ideal sdf is a reference chemical geometry, not a deposited bound pose.\",\"identity_status\":\"complete_deposited_inchikey\",\"inchikey\":\"pedcqbhivmgvhv-uhfffaoysa-n\",\"inventory_origin\":\"v1_ccd_inventory\",\"isomeric_smiles\":\"c(c(co)o)o\",\"primary_name\":\"glycerol\",\"retrieval_date\":\"2026-10-24\",\"smiles_stereo_by_ccd\":\"{\\\"gol\\\": \\\"c(c(co)o)o\\\"}\",\"source_metadata_sha256\":\"{\\\"gol\\\": \\\"66aeba7585a9ac47748bba1ce40011f52f7cb5769eb6984f7e380d477e47dd17\\\"}\",\"source_urls\":[\"https://www.rcsb.org/ligand/gol\"]}",
      "source_urls": [
        "https://www.rcsb.org/ligand/GOL"
      ],
      "verification_pending": false,
      "context_observations": [],
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        {
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      "context_bioactivity_only": false,
      "context_kind": "PWWP-proximal structure",
      "science": {
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        "cellular_activity": false,
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        "structural_research_ligand": false,
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        "uncertain_site_count": 0,
        "uncertainty": "Classification is evidence- and experiment-scoped; missing assays do not prove nonbinding.",
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        "verification_status": "source_scoped_mixed"
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        "9GRS",
        "9GRT",
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        "9KNA"
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      "bound_structure_count": 99,
      "category": "Structure-supported identity",
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      "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
      "curation_version": "phase5-1.0.0",
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        "calculated_HBD": 0,
        "calculated_TPSA": 80.26,
        "calculated_formula": "O4S-2",
        "calculated_logP": -1.338,
        "calculated_molecular_weight": 96.063,
        "computed_inchikey": "QAOWNCQODCNURD-UHFFFAOYSA-L",
        "descriptor_scope": "RDKit calculation for the source identity; not an experimental measurement",
        "files": {
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        "rdkit_version": "2025.09.3",
        "status": "verified_smiles_full_inchikey_match"
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      "development_status": "Not independently curated",
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        "HDGFL2",
        "HDGFL3",
        "MSH6",
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        "ccd_ids": [
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        ],
        "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"
        ]
      },
      "identity_note": "complete_deposited_InChIKey",
      "identity_resolved": true,
      "is_control": false,
      "is_probe": false,
      "measured_observation_count": 0,
      "name": "SULFATE ION",
      "negative_count": 0,
      "observation_ids": [],
      "pdb_structure_count": 100,
      "preparation_count": 0,
      "preparation_ids": [],
      "protein_ids": [
        "UP:O75475",
        "UP:O96028",
        "UP:P52701",
        "UP:P55201",
        "UP:Q7Z4V5",
        "UP:Q9UBC3",
        "UP:Q9ULD4",
        "UP:Q9ULU4",
        "UP:Q9Y3E1",
        "UP:Q9Y6K1"
      ],
      "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\": \"308\", \"component\": \"LYS\", \"entity_position\": 104, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8434, \"uniprot_position\": 308}]",
          "biochemical_activity_inferred": 0,
          "ccd_id": "SO4",
          "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"308\", \"component\": \"LYS\", \"entity_position\": 104, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8434, \"uniprot_position\": 308}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"312\", \"component\": \"ARG\", \"entity_position\": 108, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4079, \"uniprot_position\": 312}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"350\", \"component\": \"PRO\", \"entity_position\": 146, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8923, \"uniprot_position\": 350}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"351\", \"component\": \"ASN\", \"entity_position\": 147, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.2648, \"uniprot_position\": 351}]",
          "chain_id": "PDB:3QKJ:CHAIN:A:UP:Q9UBC3",
          "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
          "contact_class": "broader_Pfam_PWWP_contact",
          "contact_distance_rank": 1,
          "core_contacts_5A": "[]",
          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:Q9UBC3:PWWP1",
          "exact_pwwp_contact": true,
          "gene": "DNMT3B",
          "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": "3",
            "ccd_id": "SO4",
            "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
            "component_context": "nonpolymer_component",
            "contacted_polymer_partners": "[{\"description\": \"DNA cytosine-5 methyltransferase 3 beta isoform 6 variant\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 151, \"uniprot_ids\": [\"Q9UBC3\"]}, {\"description\": \"DNA cytosine-5 methyltransferase 3 beta isoform 6 variant\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"D\", \"sequence_length\": 151, \"uniprot_ids\": [\"Q9UBC3\"]}]",
            "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:3QKJ:LIG:F:SO4:3:.",
            "nearest_polypeptide_distance_angstrom": 2.8434,
            "nearest_polypeptide_label_asym_id": "A",
            "occupancy_max": 1.0,
            "occupancy_min": 1.0,
            "pdb_id": "3QKJ",
            "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"308\", \"component\": \"LYS\", \"entity_position\": 104, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8434, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"312\", \"component\": \"ARG\", \"entity_position\": 108, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4079, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"350\", \"component\": \"PRO\", \"entity_position\": 146, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8923, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"351\", \"component\": \"ASN\", \"entity_position\": 147, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.2648, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"275\", \"component\": \"ASP\", \"entity_position\": 71, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.8485, \"uniprot_position\": null}]",
            "pose_kind": "deposited_source_coordinates",
            "reference_model": "1",
            "source_coordinate_file": "Structures/DNMT3B__HUMAN__Q9UBC3/APO/3QKJ/original.cif",
            "source_coordinate_sha256": "e94a2082f64ba107b7c13187a1af6dc528db6e5340be742ad57500d752199174",
            "unique_heavy_atom_names": 5
          },
          "ligand_instance_id": "PDB:3QKJ:LIG:F:SO4:3:.",
          "ligand_label_asym_id": "F",
          "minimum_Pfam_distance_angstrom": 2.8434,
          "minimum_chain_distance_angstrom": 2.8434,
          "minimum_core_distance_angstrom": 5.4282,
          "multiple_contacting_mapped_chains": 1,
          "pdb_id": "3QKJ",
          "protein_id": "UP:Q9UBC3",
          "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:3QKJ:LIG:F:SO4:3:.:SITE:UP:Q9UBC3:PWWP1:A",
          "source_coordinate_sha256": "e94a2082f64ba107b7c13187a1af6dc528db6e5340be742ad57500d752199174"
        },
        {
          "Pfam_contacts_5A": "[{\"auth_asym_id\": \"D\", \"auth_seq_id\": \"275\", \"component\": \"ASP\", \"entity_position\": 71, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.8485, \"uniprot_position\": 275}]",
          "biochemical_activity_inferred": 0,
          "ccd_id": "SO4",
          "chain_contacts_5A": "[{\"auth_asym_id\": \"D\", \"auth_seq_id\": \"275\", \"component\": \"ASP\", \"entity_position\": 71, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.8485, \"uniprot_position\": 275}]",
          "chain_id": "PDB:3QKJ:CHAIN:D:UP:Q9UBC3",
          "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
          "contact_class": "native_annotation_core_contact",
          "contact_distance_rank": 2,
          "core_contacts_5A": "[{\"auth_asym_id\": \"D\", \"auth_seq_id\": \"275\", \"component\": \"ASP\", \"entity_position\": 71, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.8485, \"uniprot_position\": 275}]",
          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:Q9UBC3:PWWP1",
          "exact_pwwp_contact": true,
          "gene": "DNMT3B",
          "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": "3",
            "ccd_id": "SO4",
            "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
            "component_context": "nonpolymer_component",
            "contacted_polymer_partners": "[{\"description\": \"DNA cytosine-5 methyltransferase 3 beta isoform 6 variant\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 151, \"uniprot_ids\": [\"Q9UBC3\"]}, {\"description\": \"DNA cytosine-5 methyltransferase 3 beta isoform 6 variant\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"D\", \"sequence_length\": 151, \"uniprot_ids\": [\"Q9UBC3\"]}]",
            "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:3QKJ:LIG:F:SO4:3:.",
            "nearest_polypeptide_distance_angstrom": 2.8434,
            "nearest_polypeptide_label_asym_id": "A",
            "occupancy_max": 1.0,
            "occupancy_min": 1.0,
            "pdb_id": "3QKJ",
            "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"308\", \"component\": \"LYS\", \"entity_position\": 104, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8434, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"312\", \"component\": \"ARG\", \"entity_position\": 108, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4079, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"350\", \"component\": \"PRO\", \"entity_position\": 146, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8923, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"351\", \"component\": \"ASN\", \"entity_position\": 147, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.2648, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"275\", \"component\": \"ASP\", \"entity_position\": 71, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.8485, \"uniprot_position\": null}]",
            "pose_kind": "deposited_source_coordinates",
            "reference_model": "1",
            "source_coordinate_file": "Structures/DNMT3B__HUMAN__Q9UBC3/APO/3QKJ/original.cif",
            "source_coordinate_sha256": "e94a2082f64ba107b7c13187a1af6dc528db6e5340be742ad57500d752199174",
            "unique_heavy_atom_names": 5
          },
          "ligand_instance_id": "PDB:3QKJ:LIG:F:SO4:3:.",
          "ligand_label_asym_id": "F",
          "minimum_Pfam_distance_angstrom": 4.8485,
          "minimum_chain_distance_angstrom": 4.8485,
          "minimum_core_distance_angstrom": 4.8485,
          "multiple_contacting_mapped_chains": 1,
          "pdb_id": "3QKJ",
          "protein_id": "UP:Q9UBC3",
          "protein_label_asym_id": "D",
          "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:3QKJ:LIG:F:SO4:3:.:SITE:UP:Q9UBC3:PWWP1:D",
          "source_coordinate_sha256": "e94a2082f64ba107b7c13187a1af6dc528db6e5340be742ad57500d752199174"
        },
        {
          "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"310\", \"component\": \"ARG\", \"entity_position\": 106, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.1729, \"uniprot_position\": 310}]",
          "biochemical_activity_inferred": 0,
          "ccd_id": "SO4",
          "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"310\", \"component\": \"ARG\", \"entity_position\": 106, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.1729, \"uniprot_position\": 310}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"311\", \"component\": \"VAL\", \"entity_position\": 107, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.7759, \"uniprot_position\": 311}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"315\", \"component\": \"LYS\", \"entity_position\": 111, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.957, \"uniprot_position\": 315}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"316\", \"component\": \"THR\", \"entity_position\": 112, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5301, \"uniprot_position\": 316}]",
          "chain_id": "PDB:3QKJ:CHAIN:A:UP:Q9UBC3",
          "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
          "contact_class": "broader_Pfam_PWWP_contact",
          "contact_distance_rank": 1,
          "core_contacts_5A": "[]",
          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:Q9UBC3:PWWP1",
          "exact_pwwp_contact": true,
          "gene": "DNMT3B",
          "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": "4",
            "ccd_id": "SO4",
            "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
            "component_context": "nonpolymer_component",
            "contacted_polymer_partners": "[{\"description\": \"DNA cytosine-5 methyltransferase 3 beta isoform 6 variant\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 151, \"uniprot_ids\": [\"Q9UBC3\"]}, {\"description\": \"DNA cytosine-5 methyltransferase 3 beta isoform 6 variant\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"D\", \"sequence_length\": 151, \"uniprot_ids\": [\"Q9UBC3\"]}]",
            "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:3QKJ:LIG:G:SO4:4:.",
            "nearest_polypeptide_distance_angstrom": 3.1729,
            "nearest_polypeptide_label_asym_id": "A",
            "occupancy_max": 1.0,
            "occupancy_min": 1.0,
            "pdb_id": "3QKJ",
            "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"310\", \"component\": \"ARG\", \"entity_position\": 106, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.1729, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"311\", \"component\": \"VAL\", \"entity_position\": 107, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.7759, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"315\", \"component\": \"LYS\", \"entity_position\": 111, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.957, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"316\", \"component\": \"THR\", \"entity_position\": 112, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5301, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"234\", \"component\": \"LYS\", \"entity_position\": 30, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.3746, \"uniprot_position\": null}]",
            "pose_kind": "deposited_source_coordinates",
            "reference_model": "1",
            "source_coordinate_file": "Structures/DNMT3B__HUMAN__Q9UBC3/APO/3QKJ/original.cif",
            "source_coordinate_sha256": "e94a2082f64ba107b7c13187a1af6dc528db6e5340be742ad57500d752199174",
            "unique_heavy_atom_names": 5
          },
          "ligand_instance_id": "PDB:3QKJ:LIG:G:SO4:4:.",
          "ligand_label_asym_id": "G",
          "minimum_Pfam_distance_angstrom": 3.1729,
          "minimum_chain_distance_angstrom": 3.1729,
          "minimum_core_distance_angstrom": 14.2129,
          "multiple_contacting_mapped_chains": 1,
          "pdb_id": "3QKJ",
          "protein_id": "UP:Q9UBC3",
          "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:3QKJ:LIG:G:SO4:4:.:SITE:UP:Q9UBC3:PWWP1:A",
          "source_coordinate_sha256": "e94a2082f64ba107b7c13187a1af6dc528db6e5340be742ad57500d752199174"
        },
        {
          "Pfam_contacts_5A": "[{\"auth_asym_id\": \"D\", \"auth_seq_id\": \"234\", \"component\": \"LYS\", \"entity_position\": 30, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.3746, \"uniprot_position\": 234}]",
          "biochemical_activity_inferred": 0,
          "ccd_id": "SO4",
          "chain_contacts_5A": "[{\"auth_asym_id\": \"D\", \"auth_seq_id\": \"234\", \"component\": \"LYS\", \"entity_position\": 30, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.3746, \"uniprot_position\": 234}]",
          "chain_id": "PDB:3QKJ:CHAIN:D:UP:Q9UBC3",
          "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
          "contact_class": "native_annotation_core_contact",
          "contact_distance_rank": 2,
          "core_contacts_5A": "[{\"auth_asym_id\": \"D\", \"auth_seq_id\": \"234\", \"component\": \"LYS\", \"entity_position\": 30, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.3746, \"uniprot_position\": 234}]",
          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:Q9UBC3:PWWP1",
          "exact_pwwp_contact": true,
          "gene": "DNMT3B",
          "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": "4",
            "ccd_id": "SO4",
            "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
            "component_context": "nonpolymer_component",
            "contacted_polymer_partners": "[{\"description\": \"DNA cytosine-5 methyltransferase 3 beta isoform 6 variant\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 151, \"uniprot_ids\": [\"Q9UBC3\"]}, {\"description\": \"DNA cytosine-5 methyltransferase 3 beta isoform 6 variant\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"D\", \"sequence_length\": 151, \"uniprot_ids\": [\"Q9UBC3\"]}]",
            "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:3QKJ:LIG:G:SO4:4:.",
            "nearest_polypeptide_distance_angstrom": 3.1729,
            "nearest_polypeptide_label_asym_id": "A",
            "occupancy_max": 1.0,
            "occupancy_min": 1.0,
            "pdb_id": "3QKJ",
            "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"310\", \"component\": \"ARG\", \"entity_position\": 106, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.1729, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"311\", \"component\": \"VAL\", \"entity_position\": 107, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.7759, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"315\", \"component\": \"LYS\", \"entity_position\": 111, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.957, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"316\", \"component\": \"THR\", \"entity_position\": 112, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5301, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"234\", \"component\": \"LYS\", \"entity_position\": 30, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.3746, \"uniprot_position\": null}]",
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          "ligand_instance_id": "PDB:3QKJ:LIG:G:SO4:4:.",
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          "minimum_chain_distance_angstrom": 3.3746,
          "minimum_core_distance_angstrom": 3.3746,
          "multiple_contacting_mapped_chains": 1,
          "pdb_id": "3QKJ",
          "protein_id": "UP:Q9UBC3",
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          "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:3QKJ:LIG:G:SO4:4:.:SITE:UP:Q9UBC3:PWWP1:D",
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          "biochemical_activity_inferred": 0,
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          "chain_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"300\", \"component\": \"LYS\", \"entity_position\": 96, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.849, \"uniprot_position\": 300}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"304\", \"component\": \"HIS\", \"entity_position\": 100, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.0174, \"uniprot_position\": 304}]",
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          "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
          "contact_class": "broader_Pfam_PWWP_contact",
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          "core_contacts_5A": "[]",
          "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",
          "instance": {
            "alternate_locations": "[]",
            "auth_asym_ids": "[\"B\"]",
            "auth_seq_id": "5",
            "ccd_id": "SO4",
            "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
            "component_context": "nonpolymer_component",
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            "covalent_connection_ids": "[]",
            "heavy_atom_row_count": 5,
            "ideal_CCD_SDF_is_source_pose": 0,
            "label_asym_id": "I",
            "label_seq_id": null,
            "ligand_instance_id": "PDB:3QKJ:LIG:I:SO4:5:.",
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            "occupancy_max": 1.0,
            "occupancy_min": 1.0,
            "pdb_id": "3QKJ",
            "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"300\", \"component\": \"LYS\", \"entity_position\": 96, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.849, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"304\", \"component\": \"HIS\", \"entity_position\": 100, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.0174, \"uniprot_position\": null}]",
            "pose_kind": "deposited_source_coordinates",
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          "minimum_core_distance_angstrom": 6.4195,
          "multiple_contacting_mapped_chains": 0,
          "pdb_id": "3QKJ",
          "protein_id": "UP:Q9UBC3",
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          "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:3QKJ:LIG:I:SO4:5:.:SITE:UP:Q9UBC3:PWWP1:B",
          "source_coordinate_sha256": "e94a2082f64ba107b7c13187a1af6dc528db6e5340be742ad57500d752199174"
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          "biochemical_activity_inferred": 0,
          "ccd_id": "SO4",
          "chain_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"251\", \"component\": \"LYS\", \"entity_position\": 47, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.1173, \"uniprot_position\": 251}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"252\", \"component\": \"ARG\", \"entity_position\": 48, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.6845, \"uniprot_position\": 252}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"260\", \"component\": \"TRP\", \"entity_position\": 56, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.8583, \"uniprot_position\": 260}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"271\", \"component\": \"GLU\", \"entity_position\": 67, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.9562, \"uniprot_position\": 271}]",
          "chain_id": "PDB:3QKJ:CHAIN:B:UP:Q9UBC3",
          "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
          "contact_class": "native_annotation_core_contact",
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          "core_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"251\", \"component\": \"LYS\", \"entity_position\": 47, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.1173, \"uniprot_position\": 251}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"252\", \"component\": \"ARG\", \"entity_position\": 48, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.6845, \"uniprot_position\": 252}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"260\", \"component\": \"TRP\", \"entity_position\": 56, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.8583, \"uniprot_position\": 260}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"271\", \"component\": \"GLU\", \"entity_position\": 67, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.9562, \"uniprot_position\": 271}]",
          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:Q9UBC3:PWWP1",
          "exact_pwwp_contact": true,
          "gene": "DNMT3B",
          "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion",
          "instance": {
            "alternate_locations": "[]",
            "auth_asym_ids": "[\"B\"]",
            "auth_seq_id": "6",
            "ccd_id": "SO4",
            "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
            "component_context": "nonpolymer_component",
            "contacted_polymer_partners": "[{\"description\": \"DNA cytosine-5 methyltransferase 3 beta isoform 6 variant\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 151, \"uniprot_ids\": [\"Q9UBC3\"]}]",
            "covalent_connection_ids": "[]",
            "heavy_atom_row_count": 5,
            "ideal_CCD_SDF_is_source_pose": 0,
            "label_asym_id": "J",
            "label_seq_id": null,
            "ligand_instance_id": "PDB:3QKJ:LIG:J:SO4:6:.",
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            "nearest_polypeptide_label_asym_id": "B",
            "occupancy_max": 1.0,
            "occupancy_min": 1.0,
            "pdb_id": "3QKJ",
            "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"251\", \"component\": \"LYS\", \"entity_position\": 47, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.1173, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"252\", \"component\": \"ARG\", \"entity_position\": 48, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.6845, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"260\", \"component\": \"TRP\", \"entity_position\": 56, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.8583, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"271\", \"component\": \"GLU\", \"entity_position\": 67, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.9562, \"uniprot_position\": null}]",
            "pose_kind": "deposited_source_coordinates",
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          },
          "ligand_instance_id": "PDB:3QKJ:LIG:J:SO4:6:.",
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          "minimum_core_distance_angstrom": 2.6845,
          "multiple_contacting_mapped_chains": 0,
          "pdb_id": "3QKJ",
          "protein_id": "UP:Q9UBC3",
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          "role": "ion/additive",
          "role_category": "incidental",
          "site_id": "PDB:3QKJ:LIG:J:SO4:6:.:SITE:UP:Q9UBC3:PWWP1:B",
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        {
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          "biochemical_activity_inferred": 0,
          "ccd_id": "SO4",
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          "chain_id": "PDB:3QKJ:CHAIN:D:UP:Q9UBC3",
          "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
          "contact_class": "native_annotation_core_contact",
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          "core_contacts_5A": "[{\"auth_asym_id\": \"D\", \"auth_seq_id\": \"232\", \"component\": \"LYS\", \"entity_position\": 28, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.9751, \"uniprot_position\": 232}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"238\", \"component\": \"TRP\", \"entity_position\": 34, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.1511, \"uniprot_position\": 238}]",
          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:Q9UBC3:PWWP1",
          "exact_pwwp_contact": true,
          "gene": "DNMT3B",
          "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion",
          "instance": {
            "alternate_locations": "[]",
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            "auth_seq_id": "1",
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            "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
            "component_context": "nonpolymer_component",
            "contacted_polymer_partners": "[{\"description\": \"DNA cytosine-5 methyltransferase 3 beta isoform 6 variant\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"D\", \"sequence_length\": 151, \"uniprot_ids\": [\"Q9UBC3\"]}]",
            "covalent_connection_ids": "[]",
            "heavy_atom_row_count": 5,
            "ideal_CCD_SDF_is_source_pose": 0,
            "label_asym_id": "M",
            "label_seq_id": null,
            "ligand_instance_id": "PDB:3QKJ:LIG:M:SO4:1:.",
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            "nearest_polypeptide_label_asym_id": "D",
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            "occupancy_min": 1.0,
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          "ligand_instance_id": "PDB:3QKJ:LIG:M:SO4:1:.",
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          "multiple_contacting_mapped_chains": 0,
          "pdb_id": "3QKJ",
          "protein_id": "UP:Q9UBC3",
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          "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:3QKJ:LIG:M:SO4:1:.:SITE:UP:Q9UBC3:PWWP1:D",
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          "ccd_id": "SO4",
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          "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
          "contact_class": "broader_Pfam_PWWP_contact",
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          "core_contacts_5A": "[]",
          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:Q9UBC3:PWWP1",
          "exact_pwwp_contact": true,
          "gene": "DNMT3B",
          "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion",
          "instance": {
            "alternate_locations": "[]",
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            "auth_seq_id": "2",
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            "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
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            "covalent_connection_ids": "[]",
            "heavy_atom_row_count": 5,
            "ideal_CCD_SDF_is_source_pose": 0,
            "label_asym_id": "N",
            "label_seq_id": null,
            "ligand_instance_id": "PDB:3QKJ:LIG:N:SO4:2:.",
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            "nearest_polypeptide_label_asym_id": "D",
            "occupancy_max": 1.0,
            "occupancy_min": 1.0,
            "pdb_id": "3QKJ",
            "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"304\", \"component\": \"HIS\", \"entity_position\": 100, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8987, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"251\", \"component\": \"LYS\", \"entity_position\": 47, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.8052, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"252\", \"component\": \"ARG\", \"entity_position\": 48, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.7328, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"260\", \"component\": \"TRP\", \"entity_position\": 56, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.7521, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"269\", \"component\": \"PHE\", \"entity_position\": 65, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.5563, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"271\", \"component\": \"GLU\", \"entity_position\": 67, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.7035, \"uniprot_position\": null}]",
            "pose_kind": "deposited_source_coordinates",
            "reference_model": "1",
            "source_coordinate_file": "Structures/DNMT3B__HUMAN__Q9UBC3/APO/3QKJ/original.cif",
            "source_coordinate_sha256": "e94a2082f64ba107b7c13187a1af6dc528db6e5340be742ad57500d752199174",
            "unique_heavy_atom_names": 5
          },
          "ligand_instance_id": "PDB:3QKJ:LIG:N:SO4:2:.",
          "ligand_label_asym_id": "N",
          "minimum_Pfam_distance_angstrom": 3.8987,
          "minimum_chain_distance_angstrom": 3.8987,
          "minimum_core_distance_angstrom": 6.409,
          "multiple_contacting_mapped_chains": 1,
          "pdb_id": "3QKJ",
          "protein_id": "UP:Q9UBC3",
          "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:3QKJ:LIG:N:SO4:2:.:SITE:UP:Q9UBC3:PWWP1:A",
          "source_coordinate_sha256": "e94a2082f64ba107b7c13187a1af6dc528db6e5340be742ad57500d752199174"
        },
        {
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          "chain_id": "PDB:3QKJ:CHAIN:D:UP:Q9UBC3",
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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_seq_id": "2",
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            "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
            "component_context": "nonpolymer_component",
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            "covalent_connection_ids": "[]",
            "heavy_atom_row_count": 5,
            "ideal_CCD_SDF_is_source_pose": 0,
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            "label_seq_id": null,
            "ligand_instance_id": "PDB:3QKJ:LIG:N:SO4:2:.",
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            "occupancy_min": 1.0,
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            "pose_kind": "deposited_source_coordinates",
            "reference_model": "1",
            "source_coordinate_file": "Structures/DNMT3B__HUMAN__Q9UBC3/APO/3QKJ/original.cif",
            "source_coordinate_sha256": "e94a2082f64ba107b7c13187a1af6dc528db6e5340be742ad57500d752199174",
            "unique_heavy_atom_names": 5
          },
          "ligand_instance_id": "PDB:3QKJ:LIG:N:SO4:2:.",
          "ligand_label_asym_id": "N",
          "minimum_Pfam_distance_angstrom": 2.7328,
          "minimum_chain_distance_angstrom": 2.7328,
          "minimum_core_distance_angstrom": 2.7328,
          "multiple_contacting_mapped_chains": 1,
          "pdb_id": "3QKJ",
          "protein_id": "UP:Q9UBC3",
          "protein_label_asym_id": "D",
          "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:3QKJ:LIG:N:SO4:2:.:SITE:UP:Q9UBC3:PWWP1:D",
          "source_coordinate_sha256": "e94a2082f64ba107b7c13187a1af6dc528db6e5340be742ad57500d752199174"
        },
        {
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          "biochemical_activity_inferred": 0,
          "ccd_id": "SO4",
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          "chain_id": "PDB:5NR3:CHAIN:A:UP:Q9UBC3",
          "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
          "contact_class": "native_annotation_core_contact",
          "contact_distance_rank": 1,
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          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:Q9UBC3:PWWP1",
          "exact_pwwp_contact": true,
          "gene": "DNMT3B",
          "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": "402",
            "ccd_id": "SO4",
            "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
            "component_context": "nonpolymer_component",
            "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 150, \"uniprot_ids\": [\"Q9UBC3\"]}, {\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 150, \"uniprot_ids\": [\"Q9UBC3\"]}]",
            "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:5NR3:LIG:D:SO4:402:.",
            "nearest_polypeptide_distance_angstrom": 2.4345,
            "nearest_polypeptide_label_asym_id": "A",
            "occupancy_max": 0.68,
            "occupancy_min": 0.68,
            "pdb_id": "5NR3",
            "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"251\", \"component\": \"LYS\", \"entity_position\": 46, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8025, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"252\", \"component\": \"ARG\", \"entity_position\": 47, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.4345, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"260\", \"component\": \"TRP\", \"entity_position\": 55, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.003, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"269\", \"component\": \"PHE\", \"entity_position\": 64, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.2628, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"271\", \"component\": \"GLU\", \"entity_position\": 66, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4906, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"304\", \"component\": \"HIS\", \"entity_position\": 99, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.1761, \"uniprot_position\": null}]",
            "pose_kind": "deposited_source_coordinates",
            "reference_model": "1",
            "source_coordinate_file": "Structures/DNMT3B__HUMAN__Q9UBC3/Co-Crystals/5NR3/original.cif",
            "source_coordinate_sha256": "44a1bc37a1ec9502897975301189695e250abc526861869774ca6a1d0adc0dab",
            "unique_heavy_atom_names": 5
          },
          "ligand_instance_id": "PDB:5NR3:LIG:D:SO4:402:.",
          "ligand_label_asym_id": "D",
          "minimum_Pfam_distance_angstrom": 2.4345,
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          "minimum_core_distance_angstrom": 2.4345,
          "multiple_contacting_mapped_chains": 1,
          "pdb_id": "5NR3",
          "protein_id": "UP:Q9UBC3",
          "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:5NR3:LIG:D:SO4:402:.:SITE:UP:Q9UBC3:PWWP1:A",
          "source_coordinate_sha256": "44a1bc37a1ec9502897975301189695e250abc526861869774ca6a1d0adc0dab"
        },
        {
          "Pfam_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"304\", \"component\": \"HIS\", \"entity_position\": 99, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.1761, \"uniprot_position\": 304}]",
          "biochemical_activity_inferred": 0,
          "ccd_id": "SO4",
          "chain_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"304\", \"component\": \"HIS\", \"entity_position\": 99, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.1761, \"uniprot_position\": 304}]",
          "chain_id": "PDB:5NR3:CHAIN:B:UP:Q9UBC3",
          "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
          "contact_class": "broader_Pfam_PWWP_contact",
          "contact_distance_rank": 2,
          "core_contacts_5A": "[]",
          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:Q9UBC3:PWWP1",
          "exact_pwwp_contact": true,
          "gene": "DNMT3B",
          "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": "402",
            "ccd_id": "SO4",
            "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
            "component_context": "nonpolymer_component",
            "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 150, \"uniprot_ids\": [\"Q9UBC3\"]}, {\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 150, \"uniprot_ids\": [\"Q9UBC3\"]}]",
            "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:5NR3:LIG:D:SO4:402:.",
            "nearest_polypeptide_distance_angstrom": 2.4345,
            "nearest_polypeptide_label_asym_id": "A",
            "occupancy_max": 0.68,
            "occupancy_min": 0.68,
            "pdb_id": "5NR3",
            "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"251\", \"component\": \"LYS\", \"entity_position\": 46, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8025, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"252\", \"component\": \"ARG\", \"entity_position\": 47, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.4345, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"260\", \"component\": \"TRP\", \"entity_position\": 55, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.003, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"269\", \"component\": \"PHE\", \"entity_position\": 64, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.2628, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"271\", \"component\": \"GLU\", \"entity_position\": 66, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4906, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"304\", \"component\": \"HIS\", \"entity_position\": 99, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.1761, \"uniprot_position\": null}]",
            "pose_kind": "deposited_source_coordinates",
            "reference_model": "1",
            "source_coordinate_file": "Structures/DNMT3B__HUMAN__Q9UBC3/Co-Crystals/5NR3/original.cif",
            "source_coordinate_sha256": "44a1bc37a1ec9502897975301189695e250abc526861869774ca6a1d0adc0dab",
            "unique_heavy_atom_names": 5
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          "ligand_instance_id": "PDB:5NR3:LIG:D:SO4:402:.",
          "ligand_label_asym_id": "D",
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          "minimum_chain_distance_angstrom": 3.1761,
          "minimum_core_distance_angstrom": 7.2665,
          "multiple_contacting_mapped_chains": 1,
          "pdb_id": "5NR3",
          "protein_id": "UP:Q9UBC3",
          "protein_label_asym_id": "B",
          "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:5NR3:LIG:D:SO4:402:.:SITE:UP:Q9UBC3:PWWP1:B",
          "source_coordinate_sha256": "44a1bc37a1ec9502897975301189695e250abc526861869774ca6a1d0adc0dab"
        },
        {
          "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"232\", \"component\": \"LYS\", \"entity_position\": 27, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.9669, \"uniprot_position\": 232}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"233\", \"component\": \"ILE\", \"entity_position\": 28, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.7838, \"uniprot_position\": 233}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"234\", \"component\": \"LYS\", \"entity_position\": 29, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8939, \"uniprot_position\": 234}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"235\", \"component\": \"GLY\", \"entity_position\": 30, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.7626, \"uniprot_position\": 235}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"236\", \"component\": \"PHE\", \"entity_position\": 31, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8363, \"uniprot_position\": 236}]",
          "biochemical_activity_inferred": 0,
          "ccd_id": "SO4",
          "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"232\", \"component\": \"LYS\", \"entity_position\": 27, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.9669, \"uniprot_position\": 232}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"233\", \"component\": \"ILE\", \"entity_position\": 28, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.7838, \"uniprot_position\": 233}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"234\", \"component\": \"LYS\", \"entity_position\": 29, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8939, \"uniprot_position\": 234}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"235\", \"component\": \"GLY\", \"entity_position\": 30, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.7626, \"uniprot_position\": 235}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"236\", \"component\": \"PHE\", \"entity_position\": 31, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8363, \"uniprot_position\": 236}]",
          "chain_id": "PDB:5NR3:CHAIN:A:UP:Q9UBC3",
          "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
          "contact_class": "native_annotation_core_contact",
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          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
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          "exact_pwwp_contact": true,
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            "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 150, \"uniprot_ids\": [\"Q9UBC3\"]}]",
            "covalent_connection_ids": "[]",
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            "ideal_CCD_SDF_is_source_pose": 0,
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            "occupancy_min": 0.66,
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          "protein_id": "UP:Q9UBC3",
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          "role": "ion/additive",
          "role_category": "incidental",
          "site_id": "PDB:5NR3:LIG:E:SO4:403:.:SITE:UP:Q9UBC3:PWWP1:A",
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          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
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          "exact_pwwp_contact": true,
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            "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 150, \"uniprot_ids\": [\"Q9UBC3\"]}]",
            "covalent_connection_ids": "[]",
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            "ideal_CCD_SDF_is_source_pose": 0,
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            "occupancy_min": 0.53,
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          "minimum_chain_distance_angstrom": 3.0609,
          "minimum_core_distance_angstrom": 3.0609,
          "multiple_contacting_mapped_chains": 0,
          "pdb_id": "5NR3",
          "protein_id": "UP:Q9UBC3",
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          "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.",
          "role": "ion/additive",
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          "site_id": "PDB:5NR3:LIG:F:SO4:404:.:SITE:UP:Q9UBC3:PWWP1:A",
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          "biochemical_activity_inferred": 0,
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          "contact_class": "native_annotation_core_contact",
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          "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"251\", \"component\": \"LYS\", \"entity_position\": 46, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.1801, \"uniprot_position\": 251}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"252\", \"component\": \"ARG\", \"entity_position\": 47, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.6153, \"uniprot_position\": 252}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"260\", \"component\": \"TRP\", \"entity_position\": 55, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.99, \"uniprot_position\": 260}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"269\", \"component\": \"PHE\", \"entity_position\": 64, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.7388, \"uniprot_position\": 269}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"271\", \"component\": \"GLU\", \"entity_position\": 66, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4777, \"uniprot_position\": 271}]",
          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
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          "exact_pwwp_contact": true,
          "gene": "DNMT3B",
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          "instance": {
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            "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 150, \"uniprot_ids\": [\"Q9UBC3\"]}, {\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 150, \"uniprot_ids\": [\"Q9UBC3\"]}]",
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            "heavy_atom_row_count": 5,
            "ideal_CCD_SDF_is_source_pose": 0,
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            "occupancy_min": 0.72,
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          "multiple_contacting_mapped_chains": 1,
          "pdb_id": "5NRR",
          "protein_id": "UP:Q9UBC3",
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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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          "site_id": "PDB:5NRR:LIG:D:SO4:402:.:SITE:UP:Q9UBC3:PWWP1:A",
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        },
        {
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          "biochemical_activity_inferred": 0,
          "ccd_id": "SO4",
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          "chain_id": "PDB:5NRR:CHAIN:B:UP:Q9UBC3",
          "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
          "contact_class": "broader_Pfam_PWWP_contact",
          "contact_distance_rank": 2,
          "core_contacts_5A": "[]",
          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:Q9UBC3:PWWP1",
          "exact_pwwp_contact": true,
          "gene": "DNMT3B",
          "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion",
          "instance": {
            "alternate_locations": "[]",
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            "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
            "component_context": "nonpolymer_component",
            "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 150, \"uniprot_ids\": [\"Q9UBC3\"]}, {\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 150, \"uniprot_ids\": [\"Q9UBC3\"]}]",
            "covalent_connection_ids": "[]",
            "heavy_atom_row_count": 5,
            "ideal_CCD_SDF_is_source_pose": 0,
            "label_asym_id": "D",
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            "ligand_instance_id": "PDB:5NRR:LIG:D:SO4:402:.",
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            "nearest_polypeptide_label_asym_id": "A",
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            "pdb_id": "5NRR",
            "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"251\", \"component\": \"LYS\", \"entity_position\": 46, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.1801, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"252\", \"component\": \"ARG\", \"entity_position\": 47, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.6153, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"260\", \"component\": \"TRP\", \"entity_position\": 55, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.99, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"269\", \"component\": \"PHE\", \"entity_position\": 64, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.7388, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"271\", \"component\": \"GLU\", \"entity_position\": 66, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4777, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"300\", \"component\": \"LYS\", \"entity_position\": 95, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.2569, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"304\", \"component\": \"HIS\", \"entity_position\": 99, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.7602, \"uniprot_position\": null}]",
            "pose_kind": "deposited_source_coordinates",
            "reference_model": "1",
            "source_coordinate_file": "Structures/DNMT3B__HUMAN__Q9UBC3/Co-Crystals/5NRR/original.cif",
            "source_coordinate_sha256": "ab09d824a29b987279f6178899a03ddb8e496509769ce2e3558b670c6826e1e0",
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          "ligand_instance_id": "PDB:5NRR:LIG:D:SO4:402:.",
          "ligand_label_asym_id": "D",
          "minimum_Pfam_distance_angstrom": 3.7602,
          "minimum_chain_distance_angstrom": 3.7602,
          "minimum_core_distance_angstrom": 6.6971,
          "multiple_contacting_mapped_chains": 1,
          "pdb_id": "5NRR",
          "protein_id": "UP:Q9UBC3",
          "protein_label_asym_id": "B",
          "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:5NRR:LIG:D:SO4:402:.:SITE:UP:Q9UBC3:PWWP1:B",
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          "chain_id": "PDB:5NRR:CHAIN:A:UP:Q9UBC3",
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          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:Q9UBC3:PWWP1",
          "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",
          "instance": {
            "alternate_locations": "[]",
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            "ccd_id": "SO4",
            "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
            "component_context": "nonpolymer_component",
            "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 150, \"uniprot_ids\": [\"Q9UBC3\"]}]",
            "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:5NRR:LIG:E:SO4:403:.",
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            "occupancy_min": 0.68,
            "pdb_id": "5NRR",
            "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"232\", \"component\": \"LYS\", \"entity_position\": 27, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.9822, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"233\", \"component\": \"ILE\", \"entity_position\": 28, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.2382, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"234\", \"component\": \"LYS\", \"entity_position\": 29, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.0399, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"235\", \"component\": \"GLY\", \"entity_position\": 30, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.2115, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"236\", \"component\": \"PHE\", \"entity_position\": 31, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.568, \"uniprot_position\": null}]",
            "pose_kind": "deposited_source_coordinates",
            "reference_model": "1",
            "source_coordinate_file": "Structures/DNMT3B__HUMAN__Q9UBC3/Co-Crystals/5NRR/original.cif",
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          "ligand_instance_id": "PDB:5NRR:LIG:E:SO4:403:.",
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          "minimum_chain_distance_angstrom": 2.2115,
          "minimum_core_distance_angstrom": 2.2115,
          "multiple_contacting_mapped_chains": 0,
          "pdb_id": "5NRR",
          "protein_id": "UP:Q9UBC3",
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          "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:5NRR:LIG:E:SO4:403:.:SITE:UP:Q9UBC3:PWWP1:A",
          "source_coordinate_sha256": "ab09d824a29b987279f6178899a03ddb8e496509769ce2e3558b670c6826e1e0"
        },
        {
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          "biochemical_activity_inferred": 0,
          "ccd_id": "SO4",
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          "chain_id": "PDB:5NRR:CHAIN:A:UP:Q9UBC3",
          "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
          "contact_class": "broader_Pfam_PWWP_contact",
          "contact_distance_rank": 1,
          "core_contacts_5A": "[]",
          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:Q9UBC3:PWWP1",
          "exact_pwwp_contact": true,
          "gene": "DNMT3B",
          "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion",
          "instance": {
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            "auth_seq_id": "404",
            "ccd_id": "SO4",
            "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
            "component_context": "nonpolymer_component",
            "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 150, \"uniprot_ids\": [\"Q9UBC3\"]}]",
            "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:5NRR:LIG:F:SO4:404:.",
            "nearest_polypeptide_distance_angstrom": 2.5555,
            "nearest_polypeptide_label_asym_id": "A",
            "occupancy_max": 0.77,
            "occupancy_min": 0.77,
            "pdb_id": "5NRR",
            "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"308\", \"component\": \"LYS\", \"entity_position\": 103, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.5555, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"312\", \"component\": \"ARG\", \"entity_position\": 107, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.1753, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"350\", \"component\": \"PRO\", \"entity_position\": 145, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.9388, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"351\", \"component\": \"ASN\", \"entity_position\": 146, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.2163, \"uniprot_position\": null}]",
            "pose_kind": "deposited_source_coordinates",
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            "unique_heavy_atom_names": 5
          },
          "ligand_instance_id": "PDB:5NRR:LIG:F:SO4:404:.",
          "ligand_label_asym_id": "F",
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          "minimum_chain_distance_angstrom": 2.5555,
          "minimum_core_distance_angstrom": 5.9622,
          "multiple_contacting_mapped_chains": 0,
          "pdb_id": "5NRR",
          "protein_id": "UP:Q9UBC3",
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          "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:5NRR:LIG:F:SO4:404:.:SITE:UP:Q9UBC3:PWWP1:A",
          "source_coordinate_sha256": "ab09d824a29b987279f6178899a03ddb8e496509769ce2e3558b670c6826e1e0"
        },
        {
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          "biochemical_activity_inferred": 0,
          "ccd_id": "SO4",
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          "chain_id": "PDB:5NRR:CHAIN:B:UP:Q9UBC3",
          "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
          "contact_class": "native_annotation_core_contact",
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          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:Q9UBC3:PWWP1",
          "exact_pwwp_contact": true,
          "gene": "DNMT3B",
          "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion",
          "instance": {
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            "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 150, \"uniprot_ids\": [\"Q9UBC3\"]}]",
            "covalent_connection_ids": "[]",
            "heavy_atom_row_count": 5,
            "ideal_CCD_SDF_is_source_pose": 0,
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            "label_seq_id": null,
            "ligand_instance_id": "PDB:5NRR:LIG:H:SO4:402:.",
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            "occupancy_max": 0.78,
            "occupancy_min": 0.78,
            "pdb_id": "5NRR",
            "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"251\", \"component\": \"LYS\", \"entity_position\": 46, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.4702, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"252\", \"component\": \"ARG\", \"entity_position\": 47, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.8466, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"260\", \"component\": \"TRP\", \"entity_position\": 55, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.0441, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"269\", \"component\": \"PHE\", \"entity_position\": 64, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.0163, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"271\", \"component\": \"GLU\", \"entity_position\": 66, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.9468, \"uniprot_position\": null}]",
            "pose_kind": "deposited_source_coordinates",
            "reference_model": "1",
            "source_coordinate_file": "Structures/DNMT3B__HUMAN__Q9UBC3/Co-Crystals/5NRR/original.cif",
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          },
          "ligand_instance_id": "PDB:5NRR:LIG:H:SO4:402:.",
          "ligand_label_asym_id": "H",
          "minimum_Pfam_distance_angstrom": 2.4702,
          "minimum_chain_distance_angstrom": 2.4702,
          "minimum_core_distance_angstrom": 2.4702,
          "multiple_contacting_mapped_chains": 0,
          "pdb_id": "5NRR",
          "protein_id": "UP:Q9UBC3",
          "protein_label_asym_id": "B",
          "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:5NRR:LIG:H:SO4:402:.:SITE:UP:Q9UBC3:PWWP1:B",
          "source_coordinate_sha256": "ab09d824a29b987279f6178899a03ddb8e496509769ce2e3558b670c6826e1e0"
        },
        {
          "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"275\", \"component\": \"ASP\", \"entity_position\": 70, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6827, \"uniprot_position\": 275}]",
          "biochemical_activity_inferred": 0,
          "ccd_id": "SO4",
          "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"221\", \"component\": \"LYS\", \"entity_position\": 16, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.1047, \"uniprot_position\": 221}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"275\", \"component\": \"ASP\", \"entity_position\": 70, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6827, \"uniprot_position\": 275}]",
          "chain_id": "PDB:5NRR:CHAIN:A:UP:Q9UBC3",
          "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
          "contact_class": "native_annotation_core_contact",
          "contact_distance_rank": 2,
          "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"275\", \"component\": \"ASP\", \"entity_position\": 70, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6827, \"uniprot_position\": 275}]",
          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
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            "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
            "component_context": "nonpolymer_component",
            "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 150, \"uniprot_ids\": [\"Q9UBC3\"]}, {\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 150, \"uniprot_ids\": [\"Q9UBC3\"]}]",
            "covalent_connection_ids": "[]",
            "heavy_atom_row_count": 5,
            "ideal_CCD_SDF_is_source_pose": 0,
            "label_asym_id": "I",
            "label_seq_id": null,
            "ligand_instance_id": "PDB:5NRR:LIG:I:SO4:403:.",
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            "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"221\", \"component\": \"LYS\", \"entity_position\": 16, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.1047, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"275\", \"component\": \"ASP\", \"entity_position\": 70, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6827, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"308\", \"component\": \"LYS\", \"entity_position\": 103, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.5076, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"312\", \"component\": \"ARG\", \"entity_position\": 107, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.356, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"350\", \"component\": \"PRO\", \"entity_position\": 145, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.5422, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"351\", \"component\": \"ASN\", \"entity_position\": 146, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.136, \"uniprot_position\": null}]",
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          "minimum_core_distance_angstrom": 3.6827,
          "multiple_contacting_mapped_chains": 1,
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          "protein_id": "UP:Q9UBC3",
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          "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:5NRR:LIG:I:SO4:403:.:SITE:UP:Q9UBC3:PWWP1:A",
          "source_coordinate_sha256": "ab09d824a29b987279f6178899a03ddb8e496509769ce2e3558b670c6826e1e0"
        },
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          "biochemical_activity_inferred": 0,
          "ccd_id": "SO4",
          "chain_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"308\", \"component\": \"LYS\", \"entity_position\": 103, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.5076, \"uniprot_position\": 308}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"312\", \"component\": \"ARG\", \"entity_position\": 107, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.356, \"uniprot_position\": 312}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"350\", \"component\": \"PRO\", \"entity_position\": 145, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.5422, \"uniprot_position\": 350}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"351\", \"component\": \"ASN\", \"entity_position\": 146, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.136, \"uniprot_position\": 351}]",
          "chain_id": "PDB:5NRR:CHAIN:B:UP:Q9UBC3",
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          "contact_class": "broader_Pfam_PWWP_contact",
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          "core_contacts_5A": "[]",
          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
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          "exact_pwwp_contact": true,
          "gene": "DNMT3B",
          "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion",
          "instance": {
            "alternate_locations": "[]",
            "auth_asym_ids": "[\"B\"]",
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            "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
            "component_context": "nonpolymer_component",
            "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 150, \"uniprot_ids\": [\"Q9UBC3\"]}, {\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 150, \"uniprot_ids\": [\"Q9UBC3\"]}]",
            "covalent_connection_ids": "[]",
            "heavy_atom_row_count": 5,
            "ideal_CCD_SDF_is_source_pose": 0,
            "label_asym_id": "I",
            "label_seq_id": null,
            "ligand_instance_id": "PDB:5NRR:LIG:I:SO4:403:.",
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            "nearest_polypeptide_label_asym_id": "B",
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            "occupancy_min": 0.95,
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            "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"221\", \"component\": \"LYS\", \"entity_position\": 16, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.1047, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"275\", \"component\": \"ASP\", \"entity_position\": 70, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6827, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"308\", \"component\": \"LYS\", \"entity_position\": 103, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.5076, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"312\", \"component\": \"ARG\", \"entity_position\": 107, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.356, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"350\", \"component\": \"PRO\", \"entity_position\": 145, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.5422, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"351\", \"component\": \"ASN\", \"entity_position\": 146, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.136, \"uniprot_position\": null}]",
            "pose_kind": "deposited_source_coordinates",
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            "source_coordinate_file": "Structures/DNMT3B__HUMAN__Q9UBC3/Co-Crystals/5NRR/original.cif",
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          },
          "ligand_instance_id": "PDB:5NRR:LIG:I:SO4:403:.",
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          "minimum_chain_distance_angstrom": 2.5076,
          "minimum_core_distance_angstrom": 5.4299,
          "multiple_contacting_mapped_chains": 1,
          "pdb_id": "5NRR",
          "protein_id": "UP:Q9UBC3",
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          "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:5NRR:LIG:I:SO4:403:.:SITE:UP:Q9UBC3:PWWP1:B",
          "source_coordinate_sha256": "ab09d824a29b987279f6178899a03ddb8e496509769ce2e3558b670c6826e1e0"
        },
        {
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          "biochemical_activity_inferred": 0,
          "ccd_id": "SO4",
          "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"308\", \"component\": \"LYS\", \"entity_position\": 103, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.7438, \"uniprot_position\": 308}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"312\", \"component\": \"ARG\", \"entity_position\": 107, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3521, \"uniprot_position\": 312}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"349\", \"component\": \"LYS\", \"entity_position\": 144, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.9992, \"uniprot_position\": 349}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"350\", \"component\": \"PRO\", \"entity_position\": 145, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8644, \"uniprot_position\": 350}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"351\", \"component\": \"ASN\", \"entity_position\": 146, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.0199, \"uniprot_position\": 351}]",
          "chain_id": "PDB:5NRS:CHAIN:A:UP:Q9UBC3",
          "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
          "contact_class": "broader_Pfam_PWWP_contact",
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          "core_contacts_5A": "[]",
          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:Q9UBC3:PWWP1",
          "exact_pwwp_contact": true,
          "gene": "DNMT3B",
          "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": "401",
            "ccd_id": "SO4",
            "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
            "component_context": "nonpolymer_component",
            "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 150, \"uniprot_ids\": [\"Q9UBC3\"]}]",
            "covalent_connection_ids": "[]",
            "heavy_atom_row_count": 5,
            "ideal_CCD_SDF_is_source_pose": 0,
            "label_asym_id": "C",
            "label_seq_id": null,
            "ligand_instance_id": "PDB:5NRS:LIG:C:SO4:401:.",
            "nearest_polypeptide_distance_angstrom": 2.7438,
            "nearest_polypeptide_label_asym_id": "A",
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            "occupancy_min": 0.93,
            "pdb_id": "5NRS",
            "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"308\", \"component\": \"LYS\", \"entity_position\": 103, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.7438, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"312\", \"component\": \"ARG\", \"entity_position\": 107, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3521, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"349\", \"component\": \"LYS\", \"entity_position\": 144, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.9992, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"350\", \"component\": \"PRO\", \"entity_position\": 145, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8644, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"351\", \"component\": \"ASN\", \"entity_position\": 146, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.0199, \"uniprot_position\": null}]",
            "pose_kind": "deposited_source_coordinates",
            "reference_model": "1",
            "source_coordinate_file": "Structures/DNMT3B__HUMAN__Q9UBC3/Co-Crystals/5NRS/original.cif",
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            "unique_heavy_atom_names": 5
          },
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          "ligand_label_asym_id": "C",
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          "minimum_core_distance_angstrom": 5.7124,
          "multiple_contacting_mapped_chains": 0,
          "pdb_id": "5NRS",
          "protein_id": "UP:Q9UBC3",
          "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:5NRS:LIG:C:SO4:401:.:SITE:UP:Q9UBC3:PWWP1:A",
          "source_coordinate_sha256": "a9f3140c8fe61aee17ed09b3c67bc8a7bda6fe726e5e5eb80203676d4492f602"
        },
        {
          "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"251\", \"component\": \"LYS\", \"entity_position\": 46, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.956, \"uniprot_position\": 251}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"252\", \"component\": \"ARG\", \"entity_position\": 47, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8561, \"uniprot_position\": 252}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"260\", \"component\": \"TRP\", \"entity_position\": 55, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0692, \"uniprot_position\": 260}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"269\", \"component\": \"PHE\", \"entity_position\": 64, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.6454, \"uniprot_position\": 269}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"271\", \"component\": \"GLU\", \"entity_position\": 66, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.714, \"uniprot_position\": 271}]",
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          "ccd_id": "SO4",
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          "chain_id": "PDB:5NRS:CHAIN:A:UP:Q9UBC3",
          "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
          "contact_class": "native_annotation_core_contact",
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          "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"251\", \"component\": \"LYS\", \"entity_position\": 46, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.956, \"uniprot_position\": 251}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"252\", \"component\": \"ARG\", \"entity_position\": 47, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8561, \"uniprot_position\": 252}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"260\", \"component\": \"TRP\", \"entity_position\": 55, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0692, \"uniprot_position\": 260}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"269\", \"component\": \"PHE\", \"entity_position\": 64, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.6454, \"uniprot_position\": 269}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"271\", \"component\": \"GLU\", \"entity_position\": 66, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.714, \"uniprot_position\": 271}]",
          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:Q9UBC3:PWWP1",
          "exact_pwwp_contact": true,
          "gene": "DNMT3B",
          "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion",
          "instance": {
            "alternate_locations": "[]",
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            "auth_seq_id": "402",
            "ccd_id": "SO4",
            "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
            "component_context": "nonpolymer_component",
            "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 150, \"uniprot_ids\": [\"Q9UBC3\"]}, {\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 150, \"uniprot_ids\": [\"Q9UBC3\"]}]",
            "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:5NRS:LIG:D:SO4:402:.",
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            "nearest_polypeptide_label_asym_id": "A",
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            "occupancy_min": 0.81,
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            "reference_model": "1",
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          },
          "ligand_instance_id": "PDB:5NRS:LIG:D:SO4:402:.",
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          "minimum_chain_distance_angstrom": 2.8561,
          "minimum_core_distance_angstrom": 2.8561,
          "multiple_contacting_mapped_chains": 1,
          "pdb_id": "5NRS",
          "protein_id": "UP:Q9UBC3",
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          "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:5NRS:LIG:D:SO4:402:.:SITE:UP:Q9UBC3:PWWP1:A",
          "source_coordinate_sha256": "a9f3140c8fe61aee17ed09b3c67bc8a7bda6fe726e5e5eb80203676d4492f602"
        },
        {
          "Pfam_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"304\", \"component\": \"HIS\", \"entity_position\": 99, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.5111, \"uniprot_position\": 304}]",
          "biochemical_activity_inferred": 0,
          "ccd_id": "SO4",
          "chain_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"304\", \"component\": \"HIS\", \"entity_position\": 99, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.5111, \"uniprot_position\": 304}]",
          "chain_id": "PDB:5NRS:CHAIN:B:UP:Q9UBC3",
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          "contact_class": "broader_Pfam_PWWP_contact",
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          "core_contacts_5A": "[]",
          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:Q9UBC3:PWWP1",
          "exact_pwwp_contact": true,
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            "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
            "component_context": "nonpolymer_component",
            "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 150, \"uniprot_ids\": [\"Q9UBC3\"]}, {\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 150, \"uniprot_ids\": [\"Q9UBC3\"]}]",
            "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:5NRS:LIG:D:SO4:402:.",
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            "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"251\", \"component\": \"LYS\", \"entity_position\": 46, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.956, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"252\", \"component\": \"ARG\", \"entity_position\": 47, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8561, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"260\", \"component\": \"TRP\", \"entity_position\": 55, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0692, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"269\", \"component\": \"PHE\", \"entity_position\": 64, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.6454, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"271\", \"component\": \"GLU\", \"entity_position\": 66, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.714, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"304\", \"component\": \"HIS\", \"entity_position\": 99, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.5111, \"uniprot_position\": null}]",
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          "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.",
          "role": "ion/additive",
          "role_category": "incidental",
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        },
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          "biochemical_activity_inferred": 0,
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          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:Q9UBC3:PWWP1",
          "exact_pwwp_contact": true,
          "gene": "DNMT3B",
          "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion",
          "instance": {
            "alternate_locations": "[]",
            "auth_asym_ids": "[\"B\"]",
            "auth_seq_id": "401",
            "ccd_id": "SO4",
            "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
            "component_context": "nonpolymer_component",
            "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 150, \"uniprot_ids\": [\"Q9UBC3\"]}, {\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 150, \"uniprot_ids\": [\"Q9UBC3\"]}]",
            "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:5NRS:LIG:F:SO4:401:.",
            "nearest_polypeptide_distance_angstrom": 3.2605,
            "nearest_polypeptide_label_asym_id": "B",
            "occupancy_max": 0.94,
            "occupancy_min": 0.94,
            "pdb_id": "5NRS",
            "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"221\", \"component\": \"LYS\", \"entity_position\": 16, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5651, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"275\", \"component\": \"ASP\", \"entity_position\": 70, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0083, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"308\", \"component\": \"LYS\", \"entity_position\": 103, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.3465, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"312\", \"component\": \"ARG\", \"entity_position\": 107, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.3848, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"349\", \"component\": \"LYS\", \"entity_position\": 144, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.9218, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"350\", \"component\": \"PRO\", \"entity_position\": 145, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.7732, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"351\", \"component\": \"ASN\", \"entity_position\": 146, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.2605, \"uniprot_position\": null}]",
            "pose_kind": "deposited_source_coordinates",
            "reference_model": "1",
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          },
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          "ligand_label_asym_id": "F",
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          "minimum_core_distance_angstrom": 4.0083,
          "multiple_contacting_mapped_chains": 1,
          "pdb_id": "5NRS",
          "protein_id": "UP:Q9UBC3",
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          "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:5NRS:LIG:F:SO4:401:.:SITE:UP:Q9UBC3:PWWP1:A",
          "source_coordinate_sha256": "a9f3140c8fe61aee17ed09b3c67bc8a7bda6fe726e5e5eb80203676d4492f602"
        },
        {
          "Pfam_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"308\", \"component\": \"LYS\", \"entity_position\": 103, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.3465, \"uniprot_position\": 308}]",
          "biochemical_activity_inferred": 0,
          "ccd_id": "SO4",
          "chain_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"308\", \"component\": \"LYS\", \"entity_position\": 103, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.3465, \"uniprot_position\": 308}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"312\", \"component\": \"ARG\", \"entity_position\": 107, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.3848, \"uniprot_position\": 312}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"349\", \"component\": \"LYS\", \"entity_position\": 144, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.9218, \"uniprot_position\": 349}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"350\", \"component\": \"PRO\", \"entity_position\": 145, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.7732, \"uniprot_position\": 350}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"351\", \"component\": \"ASN\", \"entity_position\": 146, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.2605, \"uniprot_position\": 351}]",
          "chain_id": "PDB:5NRS:CHAIN:B:UP:Q9UBC3",
          "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
          "contact_class": "broader_Pfam_PWWP_contact",
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          "core_contacts_5A": "[]",
          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:Q9UBC3:PWWP1",
          "exact_pwwp_contact": true,
          "gene": "DNMT3B",
          "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion",
          "instance": {
            "alternate_locations": "[]",
            "auth_asym_ids": "[\"B\"]",
            "auth_seq_id": "401",
            "ccd_id": "SO4",
            "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
            "component_context": "nonpolymer_component",
            "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 150, \"uniprot_ids\": [\"Q9UBC3\"]}, {\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 150, \"uniprot_ids\": [\"Q9UBC3\"]}]",
            "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:5NRS:LIG:F:SO4:401:.",
            "nearest_polypeptide_distance_angstrom": 3.2605,
            "nearest_polypeptide_label_asym_id": "B",
            "occupancy_max": 0.94,
            "occupancy_min": 0.94,
            "pdb_id": "5NRS",
            "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"221\", \"component\": \"LYS\", \"entity_position\": 16, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5651, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"275\", \"component\": \"ASP\", \"entity_position\": 70, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0083, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"308\", \"component\": \"LYS\", \"entity_position\": 103, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.3465, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"312\", \"component\": \"ARG\", \"entity_position\": 107, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.3848, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"349\", \"component\": \"LYS\", \"entity_position\": 144, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.9218, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"350\", \"component\": \"PRO\", \"entity_position\": 145, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.7732, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"351\", \"component\": \"ASN\", \"entity_position\": 146, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.2605, \"uniprot_position\": null}]",
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            "source_coordinate_file": "Structures/DNMT3B__HUMAN__Q9UBC3/Co-Crystals/5NRS/original.cif",
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          },
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          "ligand_label_asym_id": "F",
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          "minimum_core_distance_angstrom": 5.5928,
          "multiple_contacting_mapped_chains": 1,
          "pdb_id": "5NRS",
          "protein_id": "UP:Q9UBC3",
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          "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:5NRS:LIG:F:SO4:401:.:SITE:UP:Q9UBC3:PWWP1:B",
          "source_coordinate_sha256": "a9f3140c8fe61aee17ed09b3c67bc8a7bda6fe726e5e5eb80203676d4492f602"
        },
        {
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          "biochemical_activity_inferred": 0,
          "ccd_id": "SO4",
          "chain_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"234\", \"component\": \"LYS\", \"entity_position\": 29, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.1474, \"uniprot_position\": 234}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"276\", \"component\": \"LYS\", \"entity_position\": 71, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.3841, \"uniprot_position\": 276}]",
          "chain_id": "PDB:5NRS:CHAIN:B:UP:Q9UBC3",
          "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
          "contact_class": "native_annotation_core_contact",
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          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:Q9UBC3:PWWP1",
          "exact_pwwp_contact": true,
          "gene": "DNMT3B",
          "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion",
          "instance": {
            "alternate_locations": "[]",
            "auth_asym_ids": "[\"B\"]",
            "auth_seq_id": "402",
            "ccd_id": "SO4",
            "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
            "component_context": "nonpolymer_component",
            "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 150, \"uniprot_ids\": [\"Q9UBC3\"]}]",
            "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:5NRS:LIG:G:SO4:402:.",
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            "nearest_polypeptide_label_asym_id": "B",
            "occupancy_max": 0.9,
            "occupancy_min": 0.9,
            "pdb_id": "5NRS",
            "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"234\", \"component\": \"LYS\", \"entity_position\": 29, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.1474, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"276\", \"component\": \"LYS\", \"entity_position\": 71, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.3841, \"uniprot_position\": null}]",
            "pose_kind": "deposited_source_coordinates",
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            "source_coordinate_file": "Structures/DNMT3B__HUMAN__Q9UBC3/Co-Crystals/5NRS/original.cif",
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            "unique_heavy_atom_names": 5
          },
          "ligand_instance_id": "PDB:5NRS:LIG:G:SO4:402:.",
          "ligand_label_asym_id": "G",
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          "minimum_chain_distance_angstrom": 3.1474,
          "minimum_core_distance_angstrom": 3.1474,
          "multiple_contacting_mapped_chains": 0,
          "pdb_id": "5NRS",
          "protein_id": "UP:Q9UBC3",
          "protein_label_asym_id": "B",
          "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:5NRS:LIG:G:SO4:402:.:SITE:UP:Q9UBC3:PWWP1:B",
          "source_coordinate_sha256": "a9f3140c8fe61aee17ed09b3c67bc8a7bda6fe726e5e5eb80203676d4492f602"
        },
        {
          "Pfam_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"251\", \"component\": \"LYS\", \"entity_position\": 46, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.5428, \"uniprot_position\": 251}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"252\", \"component\": \"ARG\", \"entity_position\": 47, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.757, \"uniprot_position\": 252}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"260\", \"component\": \"TRP\", \"entity_position\": 55, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.4281, \"uniprot_position\": 260}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"269\", \"component\": \"PHE\", \"entity_position\": 64, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.218, \"uniprot_position\": 269}]",
          "biochemical_activity_inferred": 0,
          "ccd_id": "SO4",
          "chain_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"251\", \"component\": \"LYS\", \"entity_position\": 46, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.5428, \"uniprot_position\": 251}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"252\", \"component\": \"ARG\", \"entity_position\": 47, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.757, \"uniprot_position\": 252}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"260\", \"component\": \"TRP\", \"entity_position\": 55, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.4281, \"uniprot_position\": 260}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"269\", \"component\": \"PHE\", \"entity_position\": 64, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.218, \"uniprot_position\": 269}]",
          "chain_id": "PDB:5NRS:CHAIN:B:UP:Q9UBC3",
          "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
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          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
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          "core_contacts_5A": "[]",
          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
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            "ligand_instance_id": "PDB:5NRV:LIG:E:SO4:403:.",
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          "ligand_instance_id": "PDB:5NRV:LIG:F:SO4:404:.",
          "ligand_label_asym_id": "F",
          "minimum_Pfam_distance_angstrom": 2.8273,
          "minimum_chain_distance_angstrom": 2.8273,
          "minimum_core_distance_angstrom": 2.8273,
          "multiple_contacting_mapped_chains": 0,
          "pdb_id": "5NRV",
          "protein_id": "UP:Q9UBC3",
          "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:5NRV:LIG:F:SO4:404:.:SITE:UP:Q9UBC3:PWWP1:A",
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        },
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          "biochemical_activity_inferred": 0,
          "ccd_id": "SO4",
          "chain_contacts_5A": "[{\"auth_asym_id\": \"D\", \"auth_seq_id\": \"251\", \"component\": \"LYS\", \"entity_position\": 46, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.2245, \"uniprot_position\": 251}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"252\", \"component\": \"ARG\", \"entity_position\": 47, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3797, \"uniprot_position\": 252}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"260\", \"component\": \"TRP\", \"entity_position\": 55, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8031, \"uniprot_position\": 260}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"271\", \"component\": \"GLU\", \"entity_position\": 66, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5689, \"uniprot_position\": 271}]",
          "chain_id": "PDB:5NRV:CHAIN:A:UP:Q9UBC3",
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          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
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          "exact_pwwp_contact": true,
          "gene": "DNMT3B",
          "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion",
          "instance": {
            "alternate_locations": "[]",
            "auth_asym_ids": "[\"D\"]",
            "auth_seq_id": "405",
            "ccd_id": "SO4",
            "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
            "component_context": "nonpolymer_component",
            "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 150, \"uniprot_ids\": [\"Q9UBC3\"]}, {\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 150, \"uniprot_ids\": [\"Q9UBC3\"]}]",
            "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:5NRV:LIG:G:SO4:405:.",
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            "nearest_polypeptide_label_asym_id": "A",
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            "occupancy_min": 0.74,
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            "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"D\", \"auth_seq_id\": \"251\", \"component\": \"LYS\", \"entity_position\": 46, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.2245, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"252\", \"component\": \"ARG\", \"entity_position\": 47, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3797, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"260\", \"component\": \"TRP\", \"entity_position\": 55, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8031, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"271\", \"component\": \"GLU\", \"entity_position\": 66, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5689, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"303\", \"component\": \"TYR\", \"entity_position\": 98, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.7867, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"304\", \"component\": \"HIS\", \"entity_position\": 99, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.1469, \"uniprot_position\": null}]",
            "pose_kind": "deposited_source_coordinates",
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            "source_coordinate_file": "Structures/DNMT3B__HUMAN__Q9UBC3/Co-Crystals/5NRV/original.cif",
            "source_coordinate_sha256": "d069ff65539e46f88b81c09ce8b540b38d9403ad77689dc00093cd38d90162bf",
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          },
          "ligand_instance_id": "PDB:5NRV:LIG:G:SO4:405:.",
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          "minimum_chain_distance_angstrom": 2.3797,
          "minimum_core_distance_angstrom": 2.3797,
          "multiple_contacting_mapped_chains": 1,
          "pdb_id": "5NRV",
          "protein_id": "UP:Q9UBC3",
          "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:5NRV:LIG:G:SO4:405:.:SITE:UP:Q9UBC3:PWWP1:A",
          "source_coordinate_sha256": "d069ff65539e46f88b81c09ce8b540b38d9403ad77689dc00093cd38d90162bf"
        },
        {
          "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"303\", \"component\": \"TYR\", \"entity_position\": 98, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.7867, \"uniprot_position\": 303}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"304\", \"component\": \"HIS\", \"entity_position\": 99, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.1469, \"uniprot_position\": 304}]",
          "biochemical_activity_inferred": 0,
          "ccd_id": "SO4",
          "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"303\", \"component\": \"TYR\", \"entity_position\": 98, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.7867, \"uniprot_position\": 303}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"304\", \"component\": \"HIS\", \"entity_position\": 99, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.1469, \"uniprot_position\": 304}]",
          "chain_id": "PDB:5NRV:CHAIN:B:UP:Q9UBC3",
          "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
          "contact_class": "broader_Pfam_PWWP_contact",
          "contact_distance_rank": 2,
          "core_contacts_5A": "[]",
          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:Q9UBC3:PWWP1",
          "exact_pwwp_contact": true,
          "gene": "DNMT3B",
          "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion",
          "instance": {
            "alternate_locations": "[]",
            "auth_asym_ids": "[\"D\"]",
            "auth_seq_id": "405",
            "ccd_id": "SO4",
            "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
            "component_context": "nonpolymer_component",
            "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 150, \"uniprot_ids\": [\"Q9UBC3\"]}, {\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 150, \"uniprot_ids\": [\"Q9UBC3\"]}]",
            "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:5NRV:LIG:G:SO4:405:.",
            "nearest_polypeptide_distance_angstrom": 2.3797,
            "nearest_polypeptide_label_asym_id": "A",
            "occupancy_max": 0.74,
            "occupancy_min": 0.74,
            "pdb_id": "5NRV",
            "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"D\", \"auth_seq_id\": \"251\", \"component\": \"LYS\", \"entity_position\": 46, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.2245, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"252\", \"component\": \"ARG\", \"entity_position\": 47, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3797, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"260\", \"component\": \"TRP\", \"entity_position\": 55, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8031, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"271\", \"component\": \"GLU\", \"entity_position\": 66, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5689, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"303\", \"component\": \"TYR\", \"entity_position\": 98, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.7867, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"304\", \"component\": \"HIS\", \"entity_position\": 99, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.1469, \"uniprot_position\": null}]",
            "pose_kind": "deposited_source_coordinates",
            "reference_model": "1",
            "source_coordinate_file": "Structures/DNMT3B__HUMAN__Q9UBC3/Co-Crystals/5NRV/original.cif",
            "source_coordinate_sha256": "d069ff65539e46f88b81c09ce8b540b38d9403ad77689dc00093cd38d90162bf",
            "unique_heavy_atom_names": 5
          },
          "ligand_instance_id": "PDB:5NRV:LIG:G:SO4:405:.",
          "ligand_label_asym_id": "G",
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          "minimum_chain_distance_angstrom": 3.1469,
          "minimum_core_distance_angstrom": 6.3548,
          "multiple_contacting_mapped_chains": 1,
          "pdb_id": "5NRV",
          "protein_id": "UP:Q9UBC3",
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          "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:5NRV:LIG:G:SO4:405:.:SITE:UP:Q9UBC3:PWWP1:B",
          "source_coordinate_sha256": "d069ff65539e46f88b81c09ce8b540b38d9403ad77689dc00093cd38d90162bf"
        },
        {
          "Pfam_contacts_5A": "[{\"auth_asym_id\": \"D\", \"auth_seq_id\": \"294\", \"component\": \"LYS\", \"entity_position\": 89, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5331, \"uniprot_position\": 294}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"295\", \"component\": \"LEU\", \"entity_position\": 90, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.9564, \"uniprot_position\": 295}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"296\", \"component\": \"VAL\", \"entity_position\": 91, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.4274, \"uniprot_position\": 296}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"297\", \"component\": \"SER\", \"entity_position\": 92, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.2313, \"uniprot_position\": 297}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"298\", \"component\": \"TYR\", \"entity_position\": 93, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.2652, \"uniprot_position\": 298}]",
          "biochemical_activity_inferred": 0,
          "ccd_id": "SO4",
          "chain_contacts_5A": "[{\"auth_asym_id\": \"D\", \"auth_seq_id\": \"294\", \"component\": \"LYS\", \"entity_position\": 89, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5331, \"uniprot_position\": 294}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"295\", \"component\": \"LEU\", \"entity_position\": 90, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.9564, \"uniprot_position\": 295}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"296\", \"component\": \"VAL\", \"entity_position\": 91, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.4274, \"uniprot_position\": 296}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"297\", \"component\": \"SER\", \"entity_position\": 92, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.2313, \"uniprot_position\": 297}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"298\", \"component\": \"TYR\", \"entity_position\": 93, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.2652, \"uniprot_position\": 298}]",
          "chain_id": "PDB:5NRV:CHAIN:A:UP:Q9UBC3",
          "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
          "contact_class": "broader_Pfam_PWWP_contact",
          "contact_distance_rank": 1,
          "core_contacts_5A": "[]",
          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:Q9UBC3:PWWP1",
          "exact_pwwp_contact": true,
          "gene": "DNMT3B",
          "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion",
          "instance": {
            "alternate_locations": "[]",
            "auth_asym_ids": "[\"D\"]",
            "auth_seq_id": "406",
            "ccd_id": "SO4",
            "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
            "component_context": "nonpolymer_component",
            "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 150, \"uniprot_ids\": [\"Q9UBC3\"]}]",
            "covalent_connection_ids": "[]",
            "heavy_atom_row_count": 5,
            "ideal_CCD_SDF_is_source_pose": 0,
            "label_asym_id": "H",
            "label_seq_id": null,
            "ligand_instance_id": "PDB:5NRV:LIG:H:SO4:406:.",
            "nearest_polypeptide_distance_angstrom": 2.2313,
            "nearest_polypeptide_label_asym_id": "A",
            "occupancy_max": 0.45,
            "occupancy_min": 0.45,
            "pdb_id": "5NRV",
            "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"D\", \"auth_seq_id\": \"294\", \"component\": \"LYS\", \"entity_position\": 89, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5331, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"295\", \"component\": \"LEU\", \"entity_position\": 90, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.9564, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"296\", \"component\": \"VAL\", \"entity_position\": 91, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.4274, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"297\", \"component\": \"SER\", \"entity_position\": 92, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.2313, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"298\", \"component\": \"TYR\", \"entity_position\": 93, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.2652, \"uniprot_position\": null}]",
            "pose_kind": "deposited_source_coordinates",
            "reference_model": "1",
            "source_coordinate_file": "Structures/DNMT3B__HUMAN__Q9UBC3/Co-Crystals/5NRV/original.cif",
            "source_coordinate_sha256": "d069ff65539e46f88b81c09ce8b540b38d9403ad77689dc00093cd38d90162bf",
            "unique_heavy_atom_names": 5
          },
          "ligand_instance_id": "PDB:5NRV:LIG:H:SO4:406:.",
          "ligand_label_asym_id": "H",
          "minimum_Pfam_distance_angstrom": 2.2313,
          "minimum_chain_distance_angstrom": 2.2313,
          "minimum_core_distance_angstrom": 6.335,
          "multiple_contacting_mapped_chains": 0,
          "pdb_id": "5NRV",
          "protein_id": "UP:Q9UBC3",
          "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:5NRV:LIG:H:SO4:406:.:SITE:UP:Q9UBC3:PWWP1:A",
          "source_coordinate_sha256": "d069ff65539e46f88b81c09ce8b540b38d9403ad77689dc00093cd38d90162bf"
        },
        {
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          "biochemical_activity_inferred": 0,
          "ccd_id": "SO4",
          "chain_contacts_5A": "[{\"auth_asym_id\": \"D\", \"auth_seq_id\": \"250\", \"component\": \"SER\", \"entity_position\": 45, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.6682, \"uniprot_position\": 250}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"251\", \"component\": \"LYS\", \"entity_position\": 46, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7933, \"uniprot_position\": 251}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"252\", \"component\": \"ARG\", \"entity_position\": 47, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.9935, \"uniprot_position\": 252}]",
          "chain_id": "PDB:5NRV:CHAIN:A:UP:Q9UBC3",
          "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
          "contact_class": "native_annotation_core_contact",
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          "core_contacts_5A": "[{\"auth_asym_id\": \"D\", \"auth_seq_id\": \"250\", \"component\": \"SER\", \"entity_position\": 45, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.6682, \"uniprot_position\": 250}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"251\", \"component\": \"LYS\", \"entity_position\": 46, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7933, \"uniprot_position\": 251}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"252\", \"component\": \"ARG\", \"entity_position\": 47, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.9935, \"uniprot_position\": 252}]",
          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:Q9UBC3:PWWP1",
          "exact_pwwp_contact": true,
          "gene": "DNMT3B",
          "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion",
          "instance": {
            "alternate_locations": "[]",
            "auth_asym_ids": "[\"D\"]",
            "auth_seq_id": "407",
            "ccd_id": "SO4",
            "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
            "component_context": "nonpolymer_component",
            "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 150, \"uniprot_ids\": [\"Q9UBC3\"]}, {\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 150, \"uniprot_ids\": [\"Q9UBC3\"]}]",
            "covalent_connection_ids": "[]",
            "heavy_atom_row_count": 5,
            "ideal_CCD_SDF_is_source_pose": 0,
            "label_asym_id": "I",
            "label_seq_id": null,
            "ligand_instance_id": "PDB:5NRV:LIG:I:SO4:407:.",
            "nearest_polypeptide_distance_angstrom": 2.9935,
            "nearest_polypeptide_label_asym_id": "A",
            "occupancy_max": 0.57,
            "occupancy_min": 0.57,
            "pdb_id": "5NRV",
            "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"D\", \"auth_seq_id\": \"250\", \"component\": \"SER\", \"entity_position\": 45, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.6682, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"251\", \"component\": \"LYS\", \"entity_position\": 46, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7933, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"252\", \"component\": \"ARG\", \"entity_position\": 47, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.9935, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"265\", \"component\": \"GLY\", \"entity_position\": 60, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.2197, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"300\", \"component\": \"LYS\", \"entity_position\": 95, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.3935, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"304\", \"component\": \"HIS\", \"entity_position\": 99, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.8825, \"uniprot_position\": null}]",
            "pose_kind": "deposited_source_coordinates",
            "reference_model": "1",
            "source_coordinate_file": "Structures/DNMT3B__HUMAN__Q9UBC3/Co-Crystals/5NRV/original.cif",
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            "unique_heavy_atom_names": 5
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          "ligand_instance_id": "PDB:5NRV:LIG:I:SO4:407:.",
          "ligand_label_asym_id": "I",
          "minimum_Pfam_distance_angstrom": 2.9935,
          "minimum_chain_distance_angstrom": 2.9935,
          "minimum_core_distance_angstrom": 2.9935,
          "multiple_contacting_mapped_chains": 1,
          "pdb_id": "5NRV",
          "protein_id": "UP:Q9UBC3",
          "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:5NRV:LIG:I:SO4:407:.:SITE:UP:Q9UBC3:PWWP1:A",
          "source_coordinate_sha256": "d069ff65539e46f88b81c09ce8b540b38d9403ad77689dc00093cd38d90162bf"
        },
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          "ccd_id": "SO4",
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          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
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          "exact_pwwp_contact": true,
          "gene": "DNMT3B",
          "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion",
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            "alternate_locations": "[]",
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            "ccd_id": "SO4",
            "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
            "component_context": "nonpolymer_component",
            "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 150, \"uniprot_ids\": [\"Q9UBC3\"]}, {\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 150, \"uniprot_ids\": [\"Q9UBC3\"]}]",
            "covalent_connection_ids": "[]",
            "heavy_atom_row_count": 5,
            "ideal_CCD_SDF_is_source_pose": 0,
            "label_asym_id": "I",
            "label_seq_id": null,
            "ligand_instance_id": "PDB:5NRV:LIG:I:SO4:407:.",
            "nearest_polypeptide_distance_angstrom": 2.9935,
            "nearest_polypeptide_label_asym_id": "A",
            "occupancy_max": 0.57,
            "occupancy_min": 0.57,
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            "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"D\", \"auth_seq_id\": \"250\", \"component\": \"SER\", \"entity_position\": 45, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.6682, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"251\", \"component\": \"LYS\", \"entity_position\": 46, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7933, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"252\", \"component\": \"ARG\", \"entity_position\": 47, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.9935, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"265\", \"component\": \"GLY\", \"entity_position\": 60, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.2197, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"300\", \"component\": \"LYS\", \"entity_position\": 95, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.3935, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"304\", \"component\": \"HIS\", \"entity_position\": 99, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.8825, \"uniprot_position\": null}]",
            "pose_kind": "deposited_source_coordinates",
            "reference_model": "1",
            "source_coordinate_file": "Structures/DNMT3B__HUMAN__Q9UBC3/Co-Crystals/5NRV/original.cif",
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            "unique_heavy_atom_names": 5
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          "ligand_instance_id": "PDB:5NRV:LIG:I:SO4:407:.",
          "ligand_label_asym_id": "I",
          "minimum_Pfam_distance_angstrom": 3.3935,
          "minimum_chain_distance_angstrom": 3.3935,
          "minimum_core_distance_angstrom": 4.2197,
          "multiple_contacting_mapped_chains": 1,
          "pdb_id": "5NRV",
          "protein_id": "UP:Q9UBC3",
          "protein_label_asym_id": "B",
          "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:5NRV:LIG:I:SO4:407:.:SITE:UP:Q9UBC3:PWWP1:B",
          "source_coordinate_sha256": "d069ff65539e46f88b81c09ce8b540b38d9403ad77689dc00093cd38d90162bf"
        },
        {
          "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"232\", \"component\": \"LYS\", \"entity_position\": 27, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.0043, \"uniprot_position\": 232}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"233\", \"component\": \"ILE\", \"entity_position\": 28, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.6246, \"uniprot_position\": 233}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"234\", \"component\": \"LYS\", \"entity_position\": 29, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.3685, \"uniprot_position\": 234}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"235\", \"component\": \"GLY\", \"entity_position\": 30, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.4174, \"uniprot_position\": 235}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"236\", \"component\": \"PHE\", \"entity_position\": 31, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.5656, \"uniprot_position\": 236}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"237\", \"component\": \"SER\", \"entity_position\": 32, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.9226, \"uniprot_position\": 237}]",
          "biochemical_activity_inferred": 0,
          "ccd_id": "SO4",
          "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"232\", \"component\": \"LYS\", \"entity_position\": 27, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.0043, \"uniprot_position\": 232}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"233\", \"component\": \"ILE\", \"entity_position\": 28, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.6246, \"uniprot_position\": 233}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"234\", \"component\": \"LYS\", \"entity_position\": 29, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.3685, \"uniprot_position\": 234}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"235\", \"component\": \"GLY\", \"entity_position\": 30, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.4174, \"uniprot_position\": 235}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"236\", \"component\": \"PHE\", \"entity_position\": 31, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.5656, \"uniprot_position\": 236}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"237\", \"component\": \"SER\", \"entity_position\": 32, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.9226, \"uniprot_position\": 237}]",
          "chain_id": "PDB:5NRV:CHAIN:B:UP:Q9UBC3",
          "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
          "contact_class": "native_annotation_core_contact",
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          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:Q9UBC3:PWWP1",
          "exact_pwwp_contact": true,
          "gene": "DNMT3B",
          "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": "402",
            "ccd_id": "SO4",
            "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
            "component_context": "nonpolymer_component",
            "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 150, \"uniprot_ids\": [\"Q9UBC3\"]}]",
            "covalent_connection_ids": "[]",
            "heavy_atom_row_count": 5,
            "ideal_CCD_SDF_is_source_pose": 0,
            "label_asym_id": "K",
            "label_seq_id": null,
            "ligand_instance_id": "PDB:5NRV:LIG:K:SO4:402:.",
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            "nearest_polypeptide_label_asym_id": "B",
            "occupancy_max": 0.7,
            "occupancy_min": 0.7,
            "pdb_id": "5NRV",
            "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"232\", \"component\": \"LYS\", \"entity_position\": 27, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.0043, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"233\", \"component\": \"ILE\", \"entity_position\": 28, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.6246, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"234\", \"component\": \"LYS\", \"entity_position\": 29, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.3685, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"235\", \"component\": \"GLY\", \"entity_position\": 30, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.4174, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"236\", \"component\": \"PHE\", \"entity_position\": 31, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.5656, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"237\", \"component\": \"SER\", \"entity_position\": 32, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.9226, \"uniprot_position\": null}]",
            "pose_kind": "deposited_source_coordinates",
            "reference_model": "1",
            "source_coordinate_file": "Structures/DNMT3B__HUMAN__Q9UBC3/Co-Crystals/5NRV/original.cif",
            "source_coordinate_sha256": "d069ff65539e46f88b81c09ce8b540b38d9403ad77689dc00093cd38d90162bf",
            "unique_heavy_atom_names": 5
          },
          "ligand_instance_id": "PDB:5NRV:LIG:K:SO4:402:.",
          "ligand_label_asym_id": "K",
          "minimum_Pfam_distance_angstrom": 2.4174,
          "minimum_chain_distance_angstrom": 2.4174,
          "minimum_core_distance_angstrom": 2.4174,
          "multiple_contacting_mapped_chains": 0,
          "pdb_id": "5NRV",
          "protein_id": "UP:Q9UBC3",
          "protein_label_asym_id": "B",
          "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:5NRV:LIG:K:SO4:402:.:SITE:UP:Q9UBC3:PWWP1:B",
          "source_coordinate_sha256": "d069ff65539e46f88b81c09ce8b540b38d9403ad77689dc00093cd38d90162bf"
        },
        {
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          "biochemical_activity_inferred": 0,
          "ccd_id": "SO4",
          "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"281\", \"component\": \"GLY\", \"entity_position\": 76, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.0602, \"uniprot_position\": 281}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"282\", \"component\": \"LEU\", \"entity_position\": 77, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.2715, \"uniprot_position\": 282}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"283\", \"component\": \"PHE\", \"entity_position\": 78, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.4468, \"uniprot_position\": 283}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"284\", \"component\": \"SER\", \"entity_position\": 79, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.042, \"uniprot_position\": 284}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"285\", \"component\": \"GLN\", \"entity_position\": 80, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.6353, \"uniprot_position\": 285}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"336\", \"component\": \"ALA\", \"entity_position\": 131, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.71, \"uniprot_position\": 336}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"337\", \"component\": \"HIS\", \"entity_position\": 132, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.4622, \"uniprot_position\": 337}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"339\", \"component\": \"GLY\", \"entity_position\": 134, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.7039, \"uniprot_position\": 339}]",
          "chain_id": "PDB:5NRV:CHAIN:B:UP:Q9UBC3",
          "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
          "contact_class": "native_annotation_core_contact",
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          "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"281\", \"component\": \"GLY\", \"entity_position\": 76, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.0602, \"uniprot_position\": 281}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"282\", \"component\": \"LEU\", \"entity_position\": 77, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.2715, \"uniprot_position\": 282}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"283\", \"component\": \"PHE\", \"entity_position\": 78, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.4468, \"uniprot_position\": 283}]",
          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:Q9UBC3:PWWP1",
          "exact_pwwp_contact": true,
          "gene": "DNMT3B",
          "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": "403",
            "ccd_id": "SO4",
            "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
            "component_context": "nonpolymer_component",
            "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 150, \"uniprot_ids\": [\"Q9UBC3\"]}]",
            "covalent_connection_ids": "[]",
            "heavy_atom_row_count": 5,
            "ideal_CCD_SDF_is_source_pose": 0,
            "label_asym_id": "L",
            "label_seq_id": null,
            "ligand_instance_id": "PDB:5NRV:LIG:L:SO4:403:.",
            "nearest_polypeptide_distance_angstrom": 2.6353,
            "nearest_polypeptide_label_asym_id": "B",
            "occupancy_max": 0.6,
            "occupancy_min": 0.6,
            "pdb_id": "5NRV",
            "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"281\", \"component\": \"GLY\", \"entity_position\": 76, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.0602, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"282\", \"component\": \"LEU\", \"entity_position\": 77, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.2715, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"283\", \"component\": \"PHE\", \"entity_position\": 78, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.4468, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"284\", \"component\": \"SER\", \"entity_position\": 79, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.042, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"285\", \"component\": \"GLN\", \"entity_position\": 80, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.6353, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"336\", \"component\": \"ALA\", \"entity_position\": 131, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.71, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"337\", \"component\": \"HIS\", \"entity_position\": 132, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.4622, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"339\", \"component\": \"GLY\", \"entity_position\": 134, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.7039, \"uniprot_position\": null}]",
            "pose_kind": "deposited_source_coordinates",
            "reference_model": "1",
            "source_coordinate_file": "Structures/DNMT3B__HUMAN__Q9UBC3/Co-Crystals/5NRV/original.cif",
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          },
          "ligand_instance_id": "PDB:5NRV:LIG:L:SO4:403:.",
          "ligand_label_asym_id": "L",
          "minimum_Pfam_distance_angstrom": 2.6353,
          "minimum_chain_distance_angstrom": 2.6353,
          "minimum_core_distance_angstrom": 3.4468,
          "multiple_contacting_mapped_chains": 0,
          "pdb_id": "5NRV",
          "protein_id": "UP:Q9UBC3",
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          "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:5NRV:LIG:L:SO4:403:.:SITE:UP:Q9UBC3:PWWP1:B",
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          "biochemical_activity_inferred": 0,
          "ccd_id": "SO4",
          "chain_contacts_5A": "[{\"auth_asym_id\": \"D\", \"auth_seq_id\": \"253\", \"component\": \"GLN\", \"entity_position\": 48, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.2761, \"uniprot_position\": 253}]",
          "chain_id": "PDB:5NRV:CHAIN:A:UP:Q9UBC3",
          "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
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          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:Q9UBC3:PWWP1",
          "exact_pwwp_contact": true,
          "gene": "DNMT3B",
          "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion",
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            "alternate_locations": "[]",
            "auth_asym_ids": "[\"A\"]",
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            "ccd_id": "SO4",
            "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
            "component_context": "nonpolymer_component",
            "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 150, \"uniprot_ids\": [\"Q9UBC3\"]}, {\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 150, \"uniprot_ids\": [\"Q9UBC3\"]}]",
            "covalent_connection_ids": "[]",
            "heavy_atom_row_count": 5,
            "ideal_CCD_SDF_is_source_pose": 0,
            "label_asym_id": "M",
            "label_seq_id": null,
            "ligand_instance_id": "PDB:5NRV:LIG:M:SO4:404:.",
            "nearest_polypeptide_distance_angstrom": 2.6954,
            "nearest_polypeptide_label_asym_id": "B",
            "occupancy_max": 0.54,
            "occupancy_min": 0.54,
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            "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"D\", \"auth_seq_id\": \"253\", \"component\": \"GLN\", \"entity_position\": 48, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.2761, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"251\", \"component\": \"LYS\", \"entity_position\": 46, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.3045, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"267\", \"component\": \"GLY\", \"entity_position\": 62, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.6413, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"268\", \"component\": \"LYS\", \"entity_position\": 63, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.4021, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"269\", \"component\": \"PHE\", \"entity_position\": 64, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.6954, \"uniprot_position\": null}]",
            "pose_kind": "deposited_source_coordinates",
            "reference_model": "1",
            "source_coordinate_file": "Structures/DNMT3B__HUMAN__Q9UBC3/Co-Crystals/5NRV/original.cif",
            "source_coordinate_sha256": "d069ff65539e46f88b81c09ce8b540b38d9403ad77689dc00093cd38d90162bf",
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          },
          "ligand_instance_id": "PDB:5NRV:LIG:M:SO4:404:.",
          "ligand_label_asym_id": "M",
          "minimum_Pfam_distance_angstrom": 3.2761,
          "minimum_chain_distance_angstrom": 3.2761,
          "minimum_core_distance_angstrom": 3.2761,
          "multiple_contacting_mapped_chains": 1,
          "pdb_id": "5NRV",
          "protein_id": "UP:Q9UBC3",
          "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:5NRV:LIG:M:SO4:404:.:SITE:UP:Q9UBC3:PWWP1:A",
          "source_coordinate_sha256": "d069ff65539e46f88b81c09ce8b540b38d9403ad77689dc00093cd38d90162bf"
        },
        {
          "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"251\", \"component\": \"LYS\", \"entity_position\": 46, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.3045, \"uniprot_position\": 251}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"267\", \"component\": \"GLY\", \"entity_position\": 62, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.6413, \"uniprot_position\": 267}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"268\", \"component\": \"LYS\", \"entity_position\": 63, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.4021, \"uniprot_position\": 268}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"269\", \"component\": \"PHE\", \"entity_position\": 64, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.6954, \"uniprot_position\": 269}]",
          "biochemical_activity_inferred": 0,
          "ccd_id": "SO4",
          "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"251\", \"component\": \"LYS\", \"entity_position\": 46, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.3045, \"uniprot_position\": 251}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"267\", \"component\": \"GLY\", \"entity_position\": 62, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.6413, \"uniprot_position\": 267}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"268\", \"component\": \"LYS\", \"entity_position\": 63, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.4021, \"uniprot_position\": 268}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"269\", \"component\": \"PHE\", \"entity_position\": 64, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.6954, \"uniprot_position\": 269}]",
          "chain_id": "PDB:5NRV:CHAIN:B:UP:Q9UBC3",
          "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\": \"251\", \"component\": \"LYS\", \"entity_position\": 46, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.3045, \"uniprot_position\": 251}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"267\", \"component\": \"GLY\", \"entity_position\": 62, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.6413, \"uniprot_position\": 267}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"268\", \"component\": \"LYS\", \"entity_position\": 63, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.4021, \"uniprot_position\": 268}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"269\", \"component\": \"PHE\", \"entity_position\": 64, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.6954, \"uniprot_position\": 269}]",
          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:Q9UBC3:PWWP1",
          "exact_pwwp_contact": true,
          "gene": "DNMT3B",
          "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": "404",
            "ccd_id": "SO4",
            "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
            "component_context": "nonpolymer_component",
            "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 150, \"uniprot_ids\": [\"Q9UBC3\"]}, {\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 150, \"uniprot_ids\": [\"Q9UBC3\"]}]",
            "covalent_connection_ids": "[]",
            "heavy_atom_row_count": 5,
            "ideal_CCD_SDF_is_source_pose": 0,
            "label_asym_id": "M",
            "label_seq_id": null,
            "ligand_instance_id": "PDB:5NRV:LIG:M:SO4:404:.",
            "nearest_polypeptide_distance_angstrom": 2.6954,
            "nearest_polypeptide_label_asym_id": "B",
            "occupancy_max": 0.54,
            "occupancy_min": 0.54,
            "pdb_id": "5NRV",
            "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"D\", \"auth_seq_id\": \"253\", \"component\": \"GLN\", \"entity_position\": 48, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.2761, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"251\", \"component\": \"LYS\", \"entity_position\": 46, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.3045, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"267\", \"component\": \"GLY\", \"entity_position\": 62, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.6413, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"268\", \"component\": \"LYS\", \"entity_position\": 63, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.4021, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"269\", \"component\": \"PHE\", \"entity_position\": 64, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.6954, \"uniprot_position\": null}]",
            "pose_kind": "deposited_source_coordinates",
            "reference_model": "1",
            "source_coordinate_file": "Structures/DNMT3B__HUMAN__Q9UBC3/Co-Crystals/5NRV/original.cif",
            "source_coordinate_sha256": "d069ff65539e46f88b81c09ce8b540b38d9403ad77689dc00093cd38d90162bf",
            "unique_heavy_atom_names": 5
          },
          "ligand_instance_id": "PDB:5NRV:LIG:M:SO4:404:.",
          "ligand_label_asym_id": "M",
          "minimum_Pfam_distance_angstrom": 2.6954,
          "minimum_chain_distance_angstrom": 2.6954,
          "minimum_core_distance_angstrom": 2.6954,
          "multiple_contacting_mapped_chains": 1,
          "pdb_id": "5NRV",
          "protein_id": "UP:Q9UBC3",
          "protein_label_asym_id": "B",
          "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:5NRV:LIG:M:SO4:404:.:SITE:UP:Q9UBC3:PWWP1:B",
          "source_coordinate_sha256": "d069ff65539e46f88b81c09ce8b540b38d9403ad77689dc00093cd38d90162bf"
        },
        {
          "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"251\", \"component\": \"LYS\", \"entity_position\": 46, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.8662, \"uniprot_position\": 251}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"252\", \"component\": \"ARG\", \"entity_position\": 47, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.4414, \"uniprot_position\": 252}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"260\", \"component\": \"TRP\", \"entity_position\": 55, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.4302, \"uniprot_position\": 260}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"269\", \"component\": \"PHE\", \"entity_position\": 64, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.4817, \"uniprot_position\": 269}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"271\", \"component\": \"GLU\", \"entity_position\": 66, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.4908, \"uniprot_position\": 271}]",
          "biochemical_activity_inferred": 0,
          "ccd_id": "SO4",
          "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"251\", \"component\": \"LYS\", \"entity_position\": 46, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.8662, \"uniprot_position\": 251}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"252\", \"component\": \"ARG\", \"entity_position\": 47, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.4414, \"uniprot_position\": 252}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"260\", \"component\": \"TRP\", \"entity_position\": 55, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.4302, \"uniprot_position\": 260}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"269\", \"component\": \"PHE\", \"entity_position\": 64, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.4817, \"uniprot_position\": 269}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"271\", \"component\": \"GLU\", \"entity_position\": 66, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.4908, \"uniprot_position\": 271}]",
          "chain_id": "PDB:5NRV:CHAIN:B:UP:Q9UBC3",
          "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\": \"251\", \"component\": \"LYS\", \"entity_position\": 46, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.8662, \"uniprot_position\": 251}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"252\", \"component\": \"ARG\", \"entity_position\": 47, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.4414, \"uniprot_position\": 252}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"260\", \"component\": \"TRP\", \"entity_position\": 55, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.4302, \"uniprot_position\": 260}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"269\", \"component\": \"PHE\", \"entity_position\": 64, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.4817, \"uniprot_position\": 269}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"271\", \"component\": \"GLU\", \"entity_position\": 66, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.4908, \"uniprot_position\": 271}]",
          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:Q9UBC3:PWWP1",
          "exact_pwwp_contact": true,
          "gene": "DNMT3B",
          "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\"]",
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            "ccd_id": "SO4",
            "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
            "component_context": "nonpolymer_component",
            "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 150, \"uniprot_ids\": [\"Q9UBC3\"]}]",
            "covalent_connection_ids": "[]",
            "heavy_atom_row_count": 5,
            "ideal_CCD_SDF_is_source_pose": 0,
            "label_asym_id": "N",
            "label_seq_id": null,
            "ligand_instance_id": "PDB:5NRV:LIG:N:SO4:405:.",
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            "nearest_polypeptide_label_asym_id": "B",
            "occupancy_max": 0.67,
            "occupancy_min": 0.67,
            "pdb_id": "5NRV",
            "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"251\", \"component\": \"LYS\", \"entity_position\": 46, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.8662, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"252\", \"component\": \"ARG\", \"entity_position\": 47, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.4414, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"260\", \"component\": \"TRP\", \"entity_position\": 55, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.4302, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"269\", \"component\": \"PHE\", \"entity_position\": 64, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.4817, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"271\", \"component\": \"GLU\", \"entity_position\": 66, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.4908, \"uniprot_position\": null}]",
            "pose_kind": "deposited_source_coordinates",
            "reference_model": "1",
            "source_coordinate_file": "Structures/DNMT3B__HUMAN__Q9UBC3/Co-Crystals/5NRV/original.cif",
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            "unique_heavy_atom_names": 5
          },
          "ligand_instance_id": "PDB:5NRV:LIG:N:SO4:405:.",
          "ligand_label_asym_id": "N",
          "minimum_Pfam_distance_angstrom": 2.4414,
          "minimum_chain_distance_angstrom": 2.4414,
          "minimum_core_distance_angstrom": 2.4414,
          "multiple_contacting_mapped_chains": 0,
          "pdb_id": "5NRV",
          "protein_id": "UP:Q9UBC3",
          "protein_label_asym_id": "B",
          "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:5NRV:LIG:N:SO4:405:.:SITE:UP:Q9UBC3:PWWP1:B",
          "source_coordinate_sha256": "d069ff65539e46f88b81c09ce8b540b38d9403ad77689dc00093cd38d90162bf"
        },
        {
          "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"251\", \"component\": \"LYS\", \"entity_position\": 46, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.2352, \"uniprot_position\": 251}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"252\", \"component\": \"ARG\", \"entity_position\": 47, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.5571, \"uniprot_position\": 252}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"260\", \"component\": \"TRP\", \"entity_position\": 55, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0302, \"uniprot_position\": 260}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"269\", \"component\": \"PHE\", \"entity_position\": 64, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8041, \"uniprot_position\": 269}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"271\", \"component\": \"GLU\", \"entity_position\": 66, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5927, \"uniprot_position\": 271}]",
          "biochemical_activity_inferred": 0,
          "ccd_id": "SO4",
          "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"251\", \"component\": \"LYS\", \"entity_position\": 46, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.2352, \"uniprot_position\": 251}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"252\", \"component\": \"ARG\", \"entity_position\": 47, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.5571, \"uniprot_position\": 252}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"260\", \"component\": \"TRP\", \"entity_position\": 55, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0302, \"uniprot_position\": 260}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"269\", \"component\": \"PHE\", \"entity_position\": 64, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8041, \"uniprot_position\": 269}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"271\", \"component\": \"GLU\", \"entity_position\": 66, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5927, \"uniprot_position\": 271}]",
          "chain_id": "PDB:5NV0:CHAIN:A:UP:Q9UBC3",
          "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
          "contact_class": "native_annotation_core_contact",
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          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
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          "exact_pwwp_contact": true,
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            "alternate_locations": "[]",
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            "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
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            "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 150, \"uniprot_ids\": [\"Q9UBC3\"]}, {\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 150, \"uniprot_ids\": [\"Q9UBC3\"]}]",
            "covalent_connection_ids": "[]",
            "heavy_atom_row_count": 5,
            "ideal_CCD_SDF_is_source_pose": 0,
            "label_asym_id": "D",
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            "ligand_instance_id": "PDB:5NV0:LIG:D:SO4:402:.",
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            "occupancy_min": 0.89,
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          "protein_id": "UP:Q9UBC3",
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          "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.",
          "role": "ion/additive",
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          "core_contacts_5A": "[]",
          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
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          "exact_pwwp_contact": true,
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            "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
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            "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 150, \"uniprot_ids\": [\"Q9UBC3\"]}, {\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 150, \"uniprot_ids\": [\"Q9UBC3\"]}]",
            "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:5NV0:LIG:D:SO4:402:.",
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            "occupancy_min": 0.89,
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            "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"251\", \"component\": \"LYS\", \"entity_position\": 46, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.2352, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"252\", \"component\": \"ARG\", \"entity_position\": 47, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.5571, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"260\", \"component\": \"TRP\", \"entity_position\": 55, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0302, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"269\", \"component\": \"PHE\", \"entity_position\": 64, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8041, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"271\", \"component\": \"GLU\", \"entity_position\": 66, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5927, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"304\", \"component\": \"HIS\", \"entity_position\": 99, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.6698, \"uniprot_position\": null}]",
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            "reference_model": "1",
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          },
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          "minimum_core_distance_angstrom": 7.1617,
          "multiple_contacting_mapped_chains": 1,
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          "protein_id": "UP:Q9UBC3",
          "protein_label_asym_id": "B",
          "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.",
          "role": "ion/additive",
          "role_category": "incidental",
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          "biochemical_activity_inferred": 0,
          "ccd_id": "SO4",
          "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"308\", \"component\": \"LYS\", \"entity_position\": 103, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.2195, \"uniprot_position\": 308}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"312\", \"component\": \"ARG\", \"entity_position\": 107, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.1985, \"uniprot_position\": 312}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"349\", \"component\": \"LYS\", \"entity_position\": 144, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.9424, \"uniprot_position\": 349}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"350\", \"component\": \"PRO\", \"entity_position\": 145, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8383, \"uniprot_position\": 350}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"351\", \"component\": \"ASN\", \"entity_position\": 146, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.0956, \"uniprot_position\": 351}]",
          "chain_id": "PDB:5NV0:CHAIN:A:UP:Q9UBC3",
          "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
          "contact_class": "broader_Pfam_PWWP_contact",
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          "core_contacts_5A": "[]",
          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:Q9UBC3:PWWP1",
          "exact_pwwp_contact": true,
          "gene": "DNMT3B",
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          "instance": {
            "alternate_locations": "[]",
            "auth_asym_ids": "[\"A\"]",
            "auth_seq_id": "403",
            "ccd_id": "SO4",
            "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
            "component_context": "nonpolymer_component",
            "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 150, \"uniprot_ids\": [\"Q9UBC3\"]}]",
            "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:5NV0:LIG:E:SO4:403:.",
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            "reference_model": "1",
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          },
          "ligand_instance_id": "PDB:5NV0:LIG:E:SO4:403:.",
          "ligand_label_asym_id": "E",
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          "minimum_chain_distance_angstrom": 2.2195,
          "minimum_core_distance_angstrom": 5.2726,
          "multiple_contacting_mapped_chains": 0,
          "pdb_id": "5NV0",
          "protein_id": "UP:Q9UBC3",
          "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:5NV0:LIG:E:SO4:403:.:SITE:UP:Q9UBC3:PWWP1:A",
          "source_coordinate_sha256": "22acb380ed92e41a32434c5fca7f97c6ac12d30f80023a184e6f74d1dfff3729"
        },
        {
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          "biochemical_activity_inferred": 0,
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          "chain_id": "PDB:5NV0:CHAIN:A:UP:Q9UBC3",
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          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:Q9UBC3:PWWP1",
          "exact_pwwp_contact": true,
          "gene": "DNMT3B",
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          "instance": {
            "alternate_locations": "[]",
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            "auth_seq_id": "404",
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            "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
            "component_context": "nonpolymer_component",
            "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 150, \"uniprot_ids\": [\"Q9UBC3\"]}]",
            "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:5NV0:LIG:F:SO4:404:.",
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            "nearest_polypeptide_label_asym_id": "A",
            "occupancy_max": 0.74,
            "occupancy_min": 0.74,
            "pdb_id": "5NV0",
            "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"232\", \"component\": \"LYS\", \"entity_position\": 27, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.1904, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"233\", \"component\": \"ILE\", \"entity_position\": 28, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.9465, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"234\", \"component\": \"LYS\", \"entity_position\": 29, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.1121, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"235\", \"component\": \"GLY\", \"entity_position\": 30, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.614, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"236\", \"component\": \"PHE\", \"entity_position\": 31, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7313, \"uniprot_position\": null}]",
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            "reference_model": "1",
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          },
          "ligand_instance_id": "PDB:5NV0:LIG:F:SO4:404:.",
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          "minimum_chain_distance_angstrom": 2.614,
          "minimum_core_distance_angstrom": 2.614,
          "multiple_contacting_mapped_chains": 0,
          "pdb_id": "5NV0",
          "protein_id": "UP:Q9UBC3",
          "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:5NV0:LIG:F:SO4:404:.:SITE:UP:Q9UBC3:PWWP1:A",
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        },
        {
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          "biochemical_activity_inferred": 0,
          "ccd_id": "SO4",
          "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"250\", \"component\": \"SER\", \"entity_position\": 45, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.305, \"uniprot_position\": 250}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"251\", \"component\": \"LYS\", \"entity_position\": 46, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4572, \"uniprot_position\": 251}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"252\", \"component\": \"ARG\", \"entity_position\": 47, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.9385, \"uniprot_position\": 252}]",
          "chain_id": "PDB:5NV0:CHAIN:A:UP:Q9UBC3",
          "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
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          "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"250\", \"component\": \"SER\", \"entity_position\": 45, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.305, \"uniprot_position\": 250}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"251\", \"component\": \"LYS\", \"entity_position\": 46, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4572, \"uniprot_position\": 251}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"252\", \"component\": \"ARG\", \"entity_position\": 47, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.9385, \"uniprot_position\": 252}]",
          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:Q9UBC3:PWWP1",
          "exact_pwwp_contact": true,
          "gene": "DNMT3B",
          "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": "405",
            "ccd_id": "SO4",
            "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
            "component_context": "nonpolymer_component",
            "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 150, \"uniprot_ids\": [\"Q9UBC3\"]}, {\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 150, \"uniprot_ids\": [\"Q9UBC3\"]}]",
            "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:5NV0:LIG:G:SO4:405:.",
            "nearest_polypeptide_distance_angstrom": 2.9385,
            "nearest_polypeptide_label_asym_id": "A",
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            "occupancy_min": 0.69,
            "pdb_id": "5NV0",
            "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"250\", \"component\": \"SER\", \"entity_position\": 45, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.305, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"251\", \"component\": \"LYS\", \"entity_position\": 46, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4572, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"252\", \"component\": \"ARG\", \"entity_position\": 47, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.9385, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"265\", \"component\": \"GLY\", \"entity_position\": 60, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.4433, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"300\", \"component\": \"LYS\", \"entity_position\": 95, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.0171, \"uniprot_position\": null}]",
            "pose_kind": "deposited_source_coordinates",
            "reference_model": "1",
            "source_coordinate_file": "Structures/DNMT3B__HUMAN__Q9UBC3/Co-Crystals/5NV0/original.cif",
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          },
          "ligand_instance_id": "PDB:5NV0:LIG:G:SO4:405:.",
          "ligand_label_asym_id": "G",
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          "minimum_chain_distance_angstrom": 2.9385,
          "minimum_core_distance_angstrom": 2.9385,
          "multiple_contacting_mapped_chains": 1,
          "pdb_id": "5NV0",
          "protein_id": "UP:Q9UBC3",
          "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:5NV0:LIG:G:SO4:405:.:SITE:UP:Q9UBC3:PWWP1:A",
          "source_coordinate_sha256": "22acb380ed92e41a32434c5fca7f97c6ac12d30f80023a184e6f74d1dfff3729"
        },
        {
          "Pfam_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"265\", \"component\": \"GLY\", \"entity_position\": 60, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.4433, \"uniprot_position\": 265}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"300\", \"component\": \"LYS\", \"entity_position\": 95, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.0171, \"uniprot_position\": 300}]",
          "biochemical_activity_inferred": 0,
          "ccd_id": "SO4",
          "chain_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"265\", \"component\": \"GLY\", \"entity_position\": 60, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.4433, \"uniprot_position\": 265}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"300\", \"component\": \"LYS\", \"entity_position\": 95, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.0171, \"uniprot_position\": 300}]",
          "chain_id": "PDB:5NV0:CHAIN:B:UP:Q9UBC3",
          "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
          "contact_class": "native_annotation_core_contact",
          "contact_distance_rank": 2,
          "core_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"265\", \"component\": \"GLY\", \"entity_position\": 60, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.4433, \"uniprot_position\": 265}]",
          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:Q9UBC3:PWWP1",
          "exact_pwwp_contact": true,
          "gene": "DNMT3B",
          "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": "405",
            "ccd_id": "SO4",
            "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
            "component_context": "nonpolymer_component",
            "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 150, \"uniprot_ids\": [\"Q9UBC3\"]}, {\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 150, \"uniprot_ids\": [\"Q9UBC3\"]}]",
            "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:5NV0:LIG:G:SO4:405:.",
            "nearest_polypeptide_distance_angstrom": 2.9385,
            "nearest_polypeptide_label_asym_id": "A",
            "occupancy_max": 0.69,
            "occupancy_min": 0.69,
            "pdb_id": "5NV0",
            "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"250\", \"component\": \"SER\", \"entity_position\": 45, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.305, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"251\", \"component\": \"LYS\", \"entity_position\": 46, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4572, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"252\", \"component\": \"ARG\", \"entity_position\": 47, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.9385, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"265\", \"component\": \"GLY\", \"entity_position\": 60, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.4433, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"300\", \"component\": \"LYS\", \"entity_position\": 95, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.0171, \"uniprot_position\": null}]",
            "pose_kind": "deposited_source_coordinates",
            "reference_model": "1",
            "source_coordinate_file": "Structures/DNMT3B__HUMAN__Q9UBC3/Co-Crystals/5NV0/original.cif",
            "source_coordinate_sha256": "22acb380ed92e41a32434c5fca7f97c6ac12d30f80023a184e6f74d1dfff3729",
            "unique_heavy_atom_names": 5
          },
          "ligand_instance_id": "PDB:5NV0:LIG:G:SO4:405:.",
          "ligand_label_asym_id": "G",
          "minimum_Pfam_distance_angstrom": 4.0171,
          "minimum_chain_distance_angstrom": 4.0171,
          "minimum_core_distance_angstrom": 4.4433,
          "multiple_contacting_mapped_chains": 1,
          "pdb_id": "5NV0",
          "protein_id": "UP:Q9UBC3",
          "protein_label_asym_id": "B",
          "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:5NV0:LIG:G:SO4:405:.:SITE:UP:Q9UBC3:PWWP1:B",
          "source_coordinate_sha256": "22acb380ed92e41a32434c5fca7f97c6ac12d30f80023a184e6f74d1dfff3729"
        },
        {
          "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"234\", \"component\": \"LYS\", \"entity_position\": 29, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0458, \"uniprot_position\": 234}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"276\", \"component\": \"LYS\", \"entity_position\": 71, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.4432, \"uniprot_position\": 276}]",
          "biochemical_activity_inferred": 0,
          "ccd_id": "SO4",
          "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"234\", \"component\": \"LYS\", \"entity_position\": 29, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0458, \"uniprot_position\": 234}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"276\", \"component\": \"LYS\", \"entity_position\": 71, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.4432, \"uniprot_position\": 276}]",
          "chain_id": "PDB:5NV0:CHAIN:A:UP:Q9UBC3",
          "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\": \"234\", \"component\": \"LYS\", \"entity_position\": 29, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0458, \"uniprot_position\": 234}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"276\", \"component\": \"LYS\", \"entity_position\": 71, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.4432, \"uniprot_position\": 276}]",
          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:Q9UBC3:PWWP1",
          "exact_pwwp_contact": true,
          "gene": "DNMT3B",
          "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": "406",
            "ccd_id": "SO4",
            "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
            "component_context": "nonpolymer_component",
            "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 150, \"uniprot_ids\": [\"Q9UBC3\"]}, {\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 150, \"uniprot_ids\": [\"Q9UBC3\"]}]",
            "covalent_connection_ids": "[]",
            "heavy_atom_row_count": 5,
            "ideal_CCD_SDF_is_source_pose": 0,
            "label_asym_id": "H",
            "label_seq_id": null,
            "ligand_instance_id": "PDB:5NV0:LIG:H:SO4:406:.",
            "nearest_polypeptide_distance_angstrom": 2.4432,
            "nearest_polypeptide_label_asym_id": "A",
            "occupancy_max": 0.79,
            "occupancy_min": 0.79,
            "pdb_id": "5NV0",
            "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"234\", \"component\": \"LYS\", \"entity_position\": 29, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0458, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"276\", \"component\": \"LYS\", \"entity_position\": 71, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.4432, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"310\", \"component\": \"ARG\", \"entity_position\": 105, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.2069, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"311\", \"component\": \"VAL\", \"entity_position\": 106, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.6431, \"uniprot_position\": null}]",
            "pose_kind": "deposited_source_coordinates",
            "reference_model": "1",
            "source_coordinate_file": "Structures/DNMT3B__HUMAN__Q9UBC3/Co-Crystals/5NV0/original.cif",
            "source_coordinate_sha256": "22acb380ed92e41a32434c5fca7f97c6ac12d30f80023a184e6f74d1dfff3729",
            "unique_heavy_atom_names": 5
          },
          "ligand_instance_id": "PDB:5NV0:LIG:H:SO4:406:.",
          "ligand_label_asym_id": "H",
          "minimum_Pfam_distance_angstrom": 2.4432,
          "minimum_chain_distance_angstrom": 2.4432,
          "minimum_core_distance_angstrom": 2.4432,
          "multiple_contacting_mapped_chains": 1,
          "pdb_id": "5NV0",
          "protein_id": "UP:Q9UBC3",
          "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:5NV0:LIG:H:SO4:406:.:SITE:UP:Q9UBC3:PWWP1:A",
          "source_coordinate_sha256": "22acb380ed92e41a32434c5fca7f97c6ac12d30f80023a184e6f74d1dfff3729"
        },
        {
          "Pfam_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"310\", \"component\": \"ARG\", \"entity_position\": 105, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.2069, \"uniprot_position\": 310}]",
          "biochemical_activity_inferred": 0,
          "ccd_id": "SO4",
          "chain_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"310\", \"component\": \"ARG\", \"entity_position\": 105, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.2069, \"uniprot_position\": 310}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"311\", \"component\": \"VAL\", \"entity_position\": 106, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.6431, \"uniprot_position\": 311}]",
          "chain_id": "PDB:5NV0:CHAIN:B:UP:Q9UBC3",
          "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
          "contact_class": "broader_Pfam_PWWP_contact",
          "contact_distance_rank": 2,
          "core_contacts_5A": "[]",
          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:Q9UBC3:PWWP1",
          "exact_pwwp_contact": true,
          "gene": "DNMT3B",
          "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": "406",
            "ccd_id": "SO4",
            "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
            "component_context": "nonpolymer_component",
            "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 150, \"uniprot_ids\": [\"Q9UBC3\"]}, {\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 150, \"uniprot_ids\": [\"Q9UBC3\"]}]",
            "covalent_connection_ids": "[]",
            "heavy_atom_row_count": 5,
            "ideal_CCD_SDF_is_source_pose": 0,
            "label_asym_id": "H",
            "label_seq_id": null,
            "ligand_instance_id": "PDB:5NV0:LIG:H:SO4:406:.",
            "nearest_polypeptide_distance_angstrom": 2.4432,
            "nearest_polypeptide_label_asym_id": "A",
            "occupancy_max": 0.79,
            "occupancy_min": 0.79,
            "pdb_id": "5NV0",
            "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"234\", \"component\": \"LYS\", \"entity_position\": 29, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0458, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"276\", \"component\": \"LYS\", \"entity_position\": 71, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.4432, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"310\", \"component\": \"ARG\", \"entity_position\": 105, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.2069, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"311\", \"component\": \"VAL\", \"entity_position\": 106, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.6431, \"uniprot_position\": null}]",
            "pose_kind": "deposited_source_coordinates",
            "reference_model": "1",
            "source_coordinate_file": "Structures/DNMT3B__HUMAN__Q9UBC3/Co-Crystals/5NV0/original.cif",
            "source_coordinate_sha256": "22acb380ed92e41a32434c5fca7f97c6ac12d30f80023a184e6f74d1dfff3729",
            "unique_heavy_atom_names": 5
          },
          "ligand_instance_id": "PDB:5NV0:LIG:H:SO4:406:.",
          "ligand_label_asym_id": "H",
          "minimum_Pfam_distance_angstrom": 3.2069,
          "minimum_chain_distance_angstrom": 3.2069,
          "minimum_core_distance_angstrom": 13.7674,
          "multiple_contacting_mapped_chains": 1,
          "pdb_id": "5NV0",
          "protein_id": "UP:Q9UBC3",
          "protein_label_asym_id": "B",
          "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:5NV0:LIG:H:SO4:406:.:SITE:UP:Q9UBC3:PWWP1:B",
          "source_coordinate_sha256": "22acb380ed92e41a32434c5fca7f97c6ac12d30f80023a184e6f74d1dfff3729"
        },
        {
          "Pfam_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"276\", \"component\": \"LYS\", \"entity_position\": 71, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.35, \"uniprot_position\": 276}]",
          "biochemical_activity_inferred": 0,
          "ccd_id": "SO4",
          "chain_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"276\", \"component\": \"LYS\", \"entity_position\": 71, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.35, \"uniprot_position\": 276}]",
          "chain_id": "PDB:5NV0:CHAIN:B:UP:Q9UBC3",
          "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
          "contact_class": "native_annotation_core_contact",
          "contact_distance_rank": 1,
          "core_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"276\", \"component\": \"LYS\", \"entity_position\": 71, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.35, \"uniprot_position\": 276}]",
          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:Q9UBC3:PWWP1",
          "exact_pwwp_contact": true,
          "gene": "DNMT3B",
          "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion",
          "instance": {
            "alternate_locations": "[]",
            "auth_asym_ids": "[\"B\"]",
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            "ccd_id": "SO4",
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            "ideal_CCD_SDF_is_source_pose": 0,
            "label_asym_id": "J",
            "label_seq_id": null,
            "ligand_instance_id": "PDB:5NV0:LIG:J:SO4:402:.",
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          "role": "ion/additive",
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          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
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            "auth_seq_id": "403",
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            "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 150, \"uniprot_ids\": [\"Q9UBC3\"]}]",
            "covalent_connection_ids": "[]",
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          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
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          "exact_pwwp_contact": true,
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            "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
            "component_context": "nonpolymer_component",
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            "covalent_connection_ids": "[]",
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            "occupancy_min": 1.0,
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          "protein_id": "UP:Q9UBC3",
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          "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.",
          "role": "ion/additive",
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          "core_contacts_5A": "[]",
          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:Q9UBC3:PWWP1",
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          },
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          "minimum_chain_distance_angstrom": 2.3503,
          "minimum_core_distance_angstrom": 5.3105,
          "multiple_contacting_mapped_chains": 1,
          "pdb_id": "5NV0",
          "protein_id": "UP:Q9UBC3",
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          "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.",
          "role": "ion/additive",
          "role_category": "incidental",
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          "source_coordinate_sha256": "22acb380ed92e41a32434c5fca7f97c6ac12d30f80023a184e6f74d1dfff3729"
        },
        {
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          "biochemical_activity_inferred": 0,
          "ccd_id": "SO4",
          "chain_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"232\", \"component\": \"LYS\", \"entity_position\": 27, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.9423, \"uniprot_position\": 232}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"238\", \"component\": \"TRP\", \"entity_position\": 33, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.2655, \"uniprot_position\": 238}]",
          "chain_id": "PDB:5NV0:CHAIN:B:UP:Q9UBC3",
          "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
          "contact_class": "native_annotation_core_contact",
          "contact_distance_rank": 1,
          "core_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"232\", \"component\": \"LYS\", \"entity_position\": 27, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.9423, \"uniprot_position\": 232}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"238\", \"component\": \"TRP\", \"entity_position\": 33, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.2655, \"uniprot_position\": 238}]",
          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:Q9UBC3:PWWP1",
          "exact_pwwp_contact": true,
          "gene": "DNMT3B",
          "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion",
          "instance": {
            "alternate_locations": "[]",
            "auth_asym_ids": "[\"B\"]",
            "auth_seq_id": "405",
            "ccd_id": "SO4",
            "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
            "component_context": "nonpolymer_component",
            "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 150, \"uniprot_ids\": [\"Q9UBC3\"]}]",
            "covalent_connection_ids": "[]",
            "heavy_atom_row_count": 5,
            "ideal_CCD_SDF_is_source_pose": 0,
            "label_asym_id": "M",
            "label_seq_id": null,
            "ligand_instance_id": "PDB:5NV0:LIG:M:SO4:405:.",
            "nearest_polypeptide_distance_angstrom": 3.2655,
            "nearest_polypeptide_label_asym_id": "B",
            "occupancy_max": 0.36,
            "occupancy_min": 0.36,
            "pdb_id": "5NV0",
            "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"232\", \"component\": \"LYS\", \"entity_position\": 27, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.9423, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"238\", \"component\": \"TRP\", \"entity_position\": 33, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.2655, \"uniprot_position\": null}]",
            "pose_kind": "deposited_source_coordinates",
            "reference_model": "1",
            "source_coordinate_file": "Structures/DNMT3B__HUMAN__Q9UBC3/Co-Crystals/5NV0/original.cif",
            "source_coordinate_sha256": "22acb380ed92e41a32434c5fca7f97c6ac12d30f80023a184e6f74d1dfff3729",
            "unique_heavy_atom_names": 5
          },
          "ligand_instance_id": "PDB:5NV0:LIG:M:SO4:405:.",
          "ligand_label_asym_id": "M",
          "minimum_Pfam_distance_angstrom": 3.2655,
          "minimum_chain_distance_angstrom": 3.2655,
          "minimum_core_distance_angstrom": 3.2655,
          "multiple_contacting_mapped_chains": 0,
          "pdb_id": "5NV0",
          "protein_id": "UP:Q9UBC3",
          "protein_label_asym_id": "B",
          "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:5NV0:LIG:M:SO4:405:.:SITE:UP:Q9UBC3:PWWP1:B",
          "source_coordinate_sha256": "22acb380ed92e41a32434c5fca7f97c6ac12d30f80023a184e6f74d1dfff3729"
        },
        {
          "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"308\", \"component\": \"LYS\", \"entity_position\": 103, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.2041, \"uniprot_position\": 308}]",
          "biochemical_activity_inferred": 0,
          "ccd_id": "SO4",
          "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"308\", \"component\": \"LYS\", \"entity_position\": 103, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.2041, \"uniprot_position\": 308}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"312\", \"component\": \"ARG\", \"entity_position\": 107, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.297, \"uniprot_position\": 312}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"349\", \"component\": \"LYS\", \"entity_position\": 144, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.9457, \"uniprot_position\": 349}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"350\", \"component\": \"PRO\", \"entity_position\": 145, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7498, \"uniprot_position\": 350}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"351\", \"component\": \"ASN\", \"entity_position\": 146, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.0916, \"uniprot_position\": 351}]",
          "chain_id": "PDB:5NV2:CHAIN:A:UP:Q9UBC3",
          "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
          "contact_class": "broader_Pfam_PWWP_contact",
          "contact_distance_rank": 1,
          "core_contacts_5A": "[]",
          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:Q9UBC3:PWWP1",
          "exact_pwwp_contact": true,
          "gene": "DNMT3B",
          "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": "402",
            "ccd_id": "SO4",
            "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
            "component_context": "nonpolymer_component",
            "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 150, \"uniprot_ids\": [\"Q9UBC3\"]}]",
            "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:5NV2:LIG:D:SO4:402:.",
            "nearest_polypeptide_distance_angstrom": 3.0916,
            "nearest_polypeptide_label_asym_id": "A",
            "occupancy_max": 0.97,
            "occupancy_min": 0.97,
            "pdb_id": "5NV2",
            "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"308\", \"component\": \"LYS\", \"entity_position\": 103, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.2041, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"312\", \"component\": \"ARG\", \"entity_position\": 107, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.297, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"349\", \"component\": \"LYS\", \"entity_position\": 144, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.9457, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"350\", \"component\": \"PRO\", \"entity_position\": 145, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7498, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"351\", \"component\": \"ASN\", \"entity_position\": 146, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.0916, \"uniprot_position\": null}]",
            "pose_kind": "deposited_source_coordinates",
            "reference_model": "1",
            "source_coordinate_file": "Structures/DNMT3B__HUMAN__Q9UBC3/Co-Crystals/5NV2/original.cif",
            "source_coordinate_sha256": "90c69902789421dcb9c6982f74df193641fd6d84bf5163de125de814878ab7b1",
            "unique_heavy_atom_names": 5
          },
          "ligand_instance_id": "PDB:5NV2:LIG:D:SO4:402:.",
          "ligand_label_asym_id": "D",
          "minimum_Pfam_distance_angstrom": 3.2041,
          "minimum_chain_distance_angstrom": 3.0916,
          "minimum_core_distance_angstrom": 5.5714,
          "multiple_contacting_mapped_chains": 0,
          "pdb_id": "5NV2",
          "protein_id": "UP:Q9UBC3",
          "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:5NV2:LIG:D:SO4:402:.:SITE:UP:Q9UBC3:PWWP1:A",
          "source_coordinate_sha256": "90c69902789421dcb9c6982f74df193641fd6d84bf5163de125de814878ab7b1"
        },
        {
          "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"310\", \"component\": \"ARG\", \"entity_position\": 105, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.1972, \"uniprot_position\": 310}]",
          "biochemical_activity_inferred": 0,
          "ccd_id": "SO4",
          "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"310\", \"component\": \"ARG\", \"entity_position\": 105, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.1972, \"uniprot_position\": 310}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"311\", \"component\": \"VAL\", \"entity_position\": 106, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4829, \"uniprot_position\": 311}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"316\", \"component\": \"THR\", \"entity_position\": 111, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7151, \"uniprot_position\": 316}]",
          "chain_id": "PDB:5NV2:CHAIN:A:UP:Q9UBC3",
          "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
          "contact_class": "broader_Pfam_PWWP_contact",
          "contact_distance_rank": 1,
          "core_contacts_5A": "[]",
          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:Q9UBC3:PWWP1",
          "exact_pwwp_contact": true,
          "gene": "DNMT3B",
          "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": "403",
            "ccd_id": "SO4",
            "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
            "component_context": "nonpolymer_component",
            "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 150, \"uniprot_ids\": [\"Q9UBC3\"]}]",
            "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:5NV2:LIG:E:SO4:403:.",
            "nearest_polypeptide_distance_angstrom": 3.1972,
            "nearest_polypeptide_label_asym_id": "A",
            "occupancy_max": 0.88,
            "occupancy_min": 0.88,
            "pdb_id": "5NV2",
            "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"310\", \"component\": \"ARG\", \"entity_position\": 105, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.1972, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"311\", \"component\": \"VAL\", \"entity_position\": 106, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4829, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"316\", \"component\": \"THR\", \"entity_position\": 111, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7151, \"uniprot_position\": null}]",
            "pose_kind": "deposited_source_coordinates",
            "reference_model": "1",
            "source_coordinate_file": "Structures/DNMT3B__HUMAN__Q9UBC3/Co-Crystals/5NV2/original.cif",
            "source_coordinate_sha256": "90c69902789421dcb9c6982f74df193641fd6d84bf5163de125de814878ab7b1",
            "unique_heavy_atom_names": 5
          },
          "ligand_instance_id": "PDB:5NV2:LIG:E:SO4:403:.",
          "ligand_label_asym_id": "E",
          "minimum_Pfam_distance_angstrom": 3.1972,
          "minimum_chain_distance_angstrom": 3.1972,
          "minimum_core_distance_angstrom": 14.072,
          "multiple_contacting_mapped_chains": 0,
          "pdb_id": "5NV2",
          "protein_id": "UP:Q9UBC3",
          "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:5NV2:LIG:E:SO4:403:.:SITE:UP:Q9UBC3:PWWP1:A",
          "source_coordinate_sha256": "90c69902789421dcb9c6982f74df193641fd6d84bf5163de125de814878ab7b1"
        },
        {
          "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"251\", \"component\": \"LYS\", \"entity_position\": 46, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8867, \"uniprot_position\": 251}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"252\", \"component\": \"ARG\", \"entity_position\": 47, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.6193, \"uniprot_position\": 252}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"260\", \"component\": \"TRP\", \"entity_position\": 55, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.1525, \"uniprot_position\": 260}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"269\", \"component\": \"PHE\", \"entity_position\": 64, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.6524, \"uniprot_position\": 269}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"271\", \"component\": \"GLU\", \"entity_position\": 66, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.6486, \"uniprot_position\": 271}]",
          "biochemical_activity_inferred": 0,
          "ccd_id": "SO4",
          "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"251\", \"component\": \"LYS\", \"entity_position\": 46, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8867, \"uniprot_position\": 251}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"252\", \"component\": \"ARG\", \"entity_position\": 47, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.6193, \"uniprot_position\": 252}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"260\", \"component\": \"TRP\", \"entity_position\": 55, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.1525, \"uniprot_position\": 260}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"269\", \"component\": \"PHE\", \"entity_position\": 64, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.6524, \"uniprot_position\": 269}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"271\", \"component\": \"GLU\", \"entity_position\": 66, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.6486, \"uniprot_position\": 271}]",
          "chain_id": "PDB:5NV2:CHAIN:A:UP:Q9UBC3",
          "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\": \"251\", \"component\": \"LYS\", \"entity_position\": 46, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8867, \"uniprot_position\": 251}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"252\", \"component\": \"ARG\", \"entity_position\": 47, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.6193, \"uniprot_position\": 252}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"260\", \"component\": \"TRP\", \"entity_position\": 55, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.1525, \"uniprot_position\": 260}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"269\", \"component\": \"PHE\", \"entity_position\": 64, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.6524, \"uniprot_position\": 269}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"271\", \"component\": \"GLU\", \"entity_position\": 66, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.6486, \"uniprot_position\": 271}]",
          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:Q9UBC3:PWWP1",
          "exact_pwwp_contact": true,
          "gene": "DNMT3B",
          "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": "404",
            "ccd_id": "SO4",
            "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
            "component_context": "nonpolymer_component",
            "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 150, \"uniprot_ids\": [\"Q9UBC3\"]}, {\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 150, \"uniprot_ids\": [\"Q9UBC3\"]}]",
            "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:5NV2:LIG:F:SO4:404:.",
            "nearest_polypeptide_distance_angstrom": 2.6193,
            "nearest_polypeptide_label_asym_id": "A",
            "occupancy_max": 0.73,
            "occupancy_min": 0.73,
            "pdb_id": "5NV2",
            "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"251\", \"component\": \"LYS\", \"entity_position\": 46, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8867, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"252\", \"component\": \"ARG\", \"entity_position\": 47, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.6193, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"260\", \"component\": \"TRP\", \"entity_position\": 55, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.1525, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"269\", \"component\": \"PHE\", \"entity_position\": 64, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.6524, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"271\", \"component\": \"GLU\", \"entity_position\": 66, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.6486, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"304\", \"component\": \"HIS\", \"entity_position\": 99, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.4423, \"uniprot_position\": null}]",
            "pose_kind": "deposited_source_coordinates",
            "reference_model": "1",
            "source_coordinate_file": "Structures/DNMT3B__HUMAN__Q9UBC3/Co-Crystals/5NV2/original.cif",
            "source_coordinate_sha256": "90c69902789421dcb9c6982f74df193641fd6d84bf5163de125de814878ab7b1",
            "unique_heavy_atom_names": 5
          },
          "ligand_instance_id": "PDB:5NV2:LIG:F:SO4:404:.",
          "ligand_label_asym_id": "F",
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          "minimum_chain_distance_angstrom": 2.6193,
          "minimum_core_distance_angstrom": 2.6193,
          "multiple_contacting_mapped_chains": 1,
          "pdb_id": "5NV2",
          "protein_id": "UP:Q9UBC3",
          "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:5NV2:LIG:F:SO4:404:.:SITE:UP:Q9UBC3:PWWP1:A",
          "source_coordinate_sha256": "90c69902789421dcb9c6982f74df193641fd6d84bf5163de125de814878ab7b1"
        },
        {
          "Pfam_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"304\", \"component\": \"HIS\", \"entity_position\": 99, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.4423, \"uniprot_position\": 304}]",
          "biochemical_activity_inferred": 0,
          "ccd_id": "SO4",
          "chain_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"304\", \"component\": \"HIS\", \"entity_position\": 99, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.4423, \"uniprot_position\": 304}]",
          "chain_id": "PDB:5NV2:CHAIN:B:UP:Q9UBC3",
          "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
          "contact_class": "broader_Pfam_PWWP_contact",
          "contact_distance_rank": 2,
          "core_contacts_5A": "[]",
          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:Q9UBC3:PWWP1",
          "exact_pwwp_contact": true,
          "gene": "DNMT3B",
          "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": "404",
            "ccd_id": "SO4",
            "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
            "component_context": "nonpolymer_component",
            "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 150, \"uniprot_ids\": [\"Q9UBC3\"]}, {\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 150, \"uniprot_ids\": [\"Q9UBC3\"]}]",
            "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:5NV2:LIG:F:SO4:404:.",
            "nearest_polypeptide_distance_angstrom": 2.6193,
            "nearest_polypeptide_label_asym_id": "A",
            "occupancy_max": 0.73,
            "occupancy_min": 0.73,
            "pdb_id": "5NV2",
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            "source_coordinate_file": "Structures/DNMT3B__HUMAN__Q9UBC3/Co-Crystals/5NV2/original.cif",
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          "minimum_core_distance_angstrom": 6.8187,
          "multiple_contacting_mapped_chains": 1,
          "pdb_id": "5NV2",
          "protein_id": "UP:Q9UBC3",
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          "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:5NV2:LIG:F:SO4:404:.:SITE:UP:Q9UBC3:PWWP1:B",
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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",
          "instance": {
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            "auth_asym_ids": "[\"A\"]",
            "auth_seq_id": "405",
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            "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
            "component_context": "nonpolymer_component",
            "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 150, \"uniprot_ids\": [\"Q9UBC3\"]}]",
            "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:5NV2:LIG:G:SO4:405:.",
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            "nearest_polypeptide_label_asym_id": "A",
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            "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"232\", \"component\": \"LYS\", \"entity_position\": 27, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.086, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"233\", \"component\": \"ILE\", \"entity_position\": 28, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.7094, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"234\", \"component\": \"LYS\", \"entity_position\": 29, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5856, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"235\", \"component\": \"GLY\", \"entity_position\": 30, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.7094, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"236\", \"component\": \"PHE\", \"entity_position\": 31, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.1152, \"uniprot_position\": null}]",
            "pose_kind": "deposited_source_coordinates",
            "reference_model": "1",
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          "ligand_instance_id": "PDB:5NV2:LIG:G:SO4:405:.",
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          "minimum_core_distance_angstrom": 2.7094,
          "multiple_contacting_mapped_chains": 0,
          "pdb_id": "5NV2",
          "protein_id": "UP:Q9UBC3",
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          "role": "ion/additive",
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          "site_id": "PDB:5NV2:LIG:G:SO4:405:.:SITE:UP:Q9UBC3:PWWP1:A",
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          "biochemical_activity_inferred": 0,
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          "chain_id": "PDB:5NV2:CHAIN:A:UP:Q9UBC3",
          "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
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          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:Q9UBC3:PWWP1",
          "exact_pwwp_contact": true,
          "gene": "DNMT3B",
          "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion",
          "instance": {
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            "auth_asym_ids": "[\"A\"]",
            "auth_seq_id": "406",
            "ccd_id": "SO4",
            "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
            "component_context": "nonpolymer_component",
            "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 150, \"uniprot_ids\": [\"Q9UBC3\"]}, {\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 150, \"uniprot_ids\": [\"Q9UBC3\"]}]",
            "covalent_connection_ids": "[]",
            "heavy_atom_row_count": 5,
            "ideal_CCD_SDF_is_source_pose": 0,
            "label_asym_id": "H",
            "label_seq_id": null,
            "ligand_instance_id": "PDB:5NV2:LIG:H:SO4:406:.",
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            "nearest_polypeptide_label_asym_id": "A",
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            "occupancy_min": 0.6,
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            "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"250\", \"component\": \"SER\", \"entity_position\": 45, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4464, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"251\", \"component\": \"LYS\", \"entity_position\": 46, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4209, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"252\", \"component\": \"ARG\", \"entity_position\": 47, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.6046, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"265\", \"component\": \"GLY\", \"entity_position\": 60, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.4788, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"266\", \"component\": \"ASP\", \"entity_position\": 61, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.9194, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"300\", \"component\": \"LYS\", \"entity_position\": 95, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.9056, \"uniprot_position\": null}]",
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            "source_coordinate_file": "Structures/DNMT3B__HUMAN__Q9UBC3/Co-Crystals/5NV2/original.cif",
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          "ligand_instance_id": "PDB:5NV2:LIG:H:SO4:406:.",
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          "multiple_contacting_mapped_chains": 1,
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          "protein_id": "UP:Q9UBC3",
          "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",
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          "biochemical_activity_inferred": 0,
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          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:Q9UBC3:PWWP1",
          "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",
          "instance": {
            "alternate_locations": "[]",
            "auth_asym_ids": "[\"A\"]",
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            "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
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            "covalent_connection_ids": "[]",
            "heavy_atom_row_count": 5,
            "ideal_CCD_SDF_is_source_pose": 0,
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            "occupancy_min": 0.6,
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            "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"250\", \"component\": \"SER\", \"entity_position\": 45, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4464, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"251\", \"component\": \"LYS\", \"entity_position\": 46, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4209, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"252\", \"component\": \"ARG\", \"entity_position\": 47, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.6046, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"265\", \"component\": \"GLY\", \"entity_position\": 60, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.4788, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"266\", \"component\": \"ASP\", \"entity_position\": 61, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.9194, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"300\", \"component\": \"LYS\", \"entity_position\": 95, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.9056, \"uniprot_position\": null}]",
            "pose_kind": "deposited_source_coordinates",
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            "source_coordinate_file": "Structures/DNMT3B__HUMAN__Q9UBC3/Co-Crystals/5NV2/original.cif",
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          },
          "ligand_instance_id": "PDB:5NV2:LIG:H:SO4:406:.",
          "ligand_label_asym_id": "H",
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          "minimum_chain_distance_angstrom": 3.4788,
          "minimum_core_distance_angstrom": 3.4788,
          "multiple_contacting_mapped_chains": 1,
          "pdb_id": "5NV2",
          "protein_id": "UP:Q9UBC3",
          "protein_label_asym_id": "B",
          "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:5NV2:LIG:H:SO4:406:.:SITE:UP:Q9UBC3:PWWP1:B",
          "source_coordinate_sha256": "90c69902789421dcb9c6982f74df193641fd6d84bf5163de125de814878ab7b1"
        },
        {
          "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"275\", \"component\": \"ASP\", \"entity_position\": 70, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6734, \"uniprot_position\": 275}]",
          "biochemical_activity_inferred": 0,
          "ccd_id": "SO4",
          "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"221\", \"component\": \"LYS\", \"entity_position\": 16, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5302, \"uniprot_position\": 221}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"275\", \"component\": \"ASP\", \"entity_position\": 70, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6734, \"uniprot_position\": 275}]",
          "chain_id": "PDB:5NV2:CHAIN:A:UP:Q9UBC3",
          "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
          "contact_class": "native_annotation_core_contact",
          "contact_distance_rank": 2,
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          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:Q9UBC3:PWWP1",
          "exact_pwwp_contact": true,
          "gene": "DNMT3B",
          "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion",
          "instance": {
            "alternate_locations": "[]",
            "auth_asym_ids": "[\"B\"]",
            "auth_seq_id": "402",
            "ccd_id": "SO4",
            "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
            "component_context": "nonpolymer_component",
            "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 150, \"uniprot_ids\": [\"Q9UBC3\"]}, {\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 150, \"uniprot_ids\": [\"Q9UBC3\"]}]",
            "covalent_connection_ids": "[]",
            "heavy_atom_row_count": 5,
            "ideal_CCD_SDF_is_source_pose": 0,
            "label_asym_id": "J",
            "label_seq_id": null,
            "ligand_instance_id": "PDB:5NV2:LIG:J:SO4:402:.",
            "nearest_polypeptide_distance_angstrom": 2.7295,
            "nearest_polypeptide_label_asym_id": "B",
            "occupancy_max": 0.92,
            "occupancy_min": 0.92,
            "pdb_id": "5NV2",
            "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"221\", \"component\": \"LYS\", \"entity_position\": 16, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5302, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"275\", \"component\": \"ASP\", \"entity_position\": 70, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6734, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"308\", \"component\": \"LYS\", \"entity_position\": 103, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.7295, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"312\", \"component\": \"ARG\", \"entity_position\": 107, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.0451, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"350\", \"component\": \"PRO\", \"entity_position\": 145, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.7157, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"351\", \"component\": \"ASN\", \"entity_position\": 146, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.9022, \"uniprot_position\": null}]",
            "pose_kind": "deposited_source_coordinates",
            "reference_model": "1",
            "source_coordinate_file": "Structures/DNMT3B__HUMAN__Q9UBC3/Co-Crystals/5NV2/original.cif",
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          },
          "ligand_instance_id": "PDB:5NV2:LIG:J:SO4:402:.",
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          "minimum_Pfam_distance_angstrom": 3.6734,
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          "minimum_core_distance_angstrom": 3.6734,
          "multiple_contacting_mapped_chains": 1,
          "pdb_id": "5NV2",
          "protein_id": "UP:Q9UBC3",
          "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:5NV2:LIG:J:SO4:402:.:SITE:UP:Q9UBC3:PWWP1:A",
          "source_coordinate_sha256": "90c69902789421dcb9c6982f74df193641fd6d84bf5163de125de814878ab7b1"
        },
        {
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          "biochemical_activity_inferred": 0,
          "ccd_id": "SO4",
          "chain_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"308\", \"component\": \"LYS\", \"entity_position\": 103, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.7295, \"uniprot_position\": 308}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"312\", \"component\": \"ARG\", \"entity_position\": 107, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.0451, \"uniprot_position\": 312}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"350\", \"component\": \"PRO\", \"entity_position\": 145, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.7157, \"uniprot_position\": 350}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"351\", \"component\": \"ASN\", \"entity_position\": 146, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.9022, \"uniprot_position\": 351}]",
          "chain_id": "PDB:5NV2:CHAIN:B:UP:Q9UBC3",
          "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
          "contact_class": "broader_Pfam_PWWP_contact",
          "contact_distance_rank": 1,
          "core_contacts_5A": "[]",
          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:Q9UBC3:PWWP1",
          "exact_pwwp_contact": true,
          "gene": "DNMT3B",
          "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion",
          "instance": {
            "alternate_locations": "[]",
            "auth_asym_ids": "[\"B\"]",
            "auth_seq_id": "402",
            "ccd_id": "SO4",
            "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
            "component_context": "nonpolymer_component",
            "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 150, \"uniprot_ids\": [\"Q9UBC3\"]}, {\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 150, \"uniprot_ids\": [\"Q9UBC3\"]}]",
            "covalent_connection_ids": "[]",
            "heavy_atom_row_count": 5,
            "ideal_CCD_SDF_is_source_pose": 0,
            "label_asym_id": "J",
            "label_seq_id": null,
            "ligand_instance_id": "PDB:5NV2:LIG:J:SO4:402:.",
            "nearest_polypeptide_distance_angstrom": 2.7295,
            "nearest_polypeptide_label_asym_id": "B",
            "occupancy_max": 0.92,
            "occupancy_min": 0.92,
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            "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"221\", \"component\": \"LYS\", \"entity_position\": 16, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5302, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"275\", \"component\": \"ASP\", \"entity_position\": 70, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6734, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"308\", \"component\": \"LYS\", \"entity_position\": 103, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.7295, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"312\", \"component\": \"ARG\", \"entity_position\": 107, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.0451, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"350\", \"component\": \"PRO\", \"entity_position\": 145, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.7157, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"351\", \"component\": \"ASN\", \"entity_position\": 146, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.9022, \"uniprot_position\": null}]",
            "pose_kind": "deposited_source_coordinates",
            "reference_model": "1",
            "source_coordinate_file": "Structures/DNMT3B__HUMAN__Q9UBC3/Co-Crystals/5NV2/original.cif",
            "source_coordinate_sha256": "90c69902789421dcb9c6982f74df193641fd6d84bf5163de125de814878ab7b1",
            "unique_heavy_atom_names": 5
          },
          "ligand_instance_id": "PDB:5NV2:LIG:J:SO4:402:.",
          "ligand_label_asym_id": "J",
          "minimum_Pfam_distance_angstrom": 2.7295,
          "minimum_chain_distance_angstrom": 2.7295,
          "minimum_core_distance_angstrom": 5.6628,
          "multiple_contacting_mapped_chains": 1,
          "pdb_id": "5NV2",
          "protein_id": "UP:Q9UBC3",
          "protein_label_asym_id": "B",
          "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:5NV2:LIG:J:SO4:402:.:SITE:UP:Q9UBC3:PWWP1:B",
          "source_coordinate_sha256": "90c69902789421dcb9c6982f74df193641fd6d84bf5163de125de814878ab7b1"
        },
        {
          "Pfam_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"251\", \"component\": \"LYS\", \"entity_position\": 46, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.4459, \"uniprot_position\": 251}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"252\", \"component\": \"ARG\", \"entity_position\": 47, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.2534, \"uniprot_position\": 252}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"260\", \"component\": \"TRP\", \"entity_position\": 55, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.787, \"uniprot_position\": 260}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"271\", \"component\": \"GLU\", \"entity_position\": 66, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.5817, \"uniprot_position\": 271}]",
          "biochemical_activity_inferred": 0,
          "ccd_id": "SO4",
          "chain_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"251\", \"component\": \"LYS\", \"entity_position\": 46, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.4459, \"uniprot_position\": 251}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"252\", \"component\": \"ARG\", \"entity_position\": 47, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.2534, \"uniprot_position\": 252}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"260\", \"component\": \"TRP\", \"entity_position\": 55, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.787, \"uniprot_position\": 260}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"271\", \"component\": \"GLU\", \"entity_position\": 66, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.5817, \"uniprot_position\": 271}]",
          "chain_id": "PDB:5NV2:CHAIN:B:UP:Q9UBC3",
          "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
          "contact_class": "native_annotation_core_contact",
          "contact_distance_rank": 1,
          "core_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"251\", \"component\": \"LYS\", \"entity_position\": 46, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.4459, \"uniprot_position\": 251}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"252\", \"component\": \"ARG\", \"entity_position\": 47, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.2534, \"uniprot_position\": 252}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"260\", \"component\": \"TRP\", \"entity_position\": 55, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.787, \"uniprot_position\": 260}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"271\", \"component\": \"GLU\", \"entity_position\": 66, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.5817, \"uniprot_position\": 271}]",
          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:Q9UBC3:PWWP1",
          "exact_pwwp_contact": true,
          "gene": "DNMT3B",
          "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion",
          "instance": {
            "alternate_locations": "[]",
            "auth_asym_ids": "[\"B\"]",
            "auth_seq_id": "403",
            "ccd_id": "SO4",
            "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
            "component_context": "nonpolymer_component",
            "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 150, \"uniprot_ids\": [\"Q9UBC3\"]}]",
            "covalent_connection_ids": "[]",
            "heavy_atom_row_count": 5,
            "ideal_CCD_SDF_is_source_pose": 0,
            "label_asym_id": "K",
            "label_seq_id": null,
            "ligand_instance_id": "PDB:5NV2:LIG:K:SO4:403:.",
            "nearest_polypeptide_distance_angstrom": 2.2534,
            "nearest_polypeptide_label_asym_id": "B",
            "occupancy_max": 0.74,
            "occupancy_min": 0.74,
            "pdb_id": "5NV2",
            "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"251\", \"component\": \"LYS\", \"entity_position\": 46, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.4459, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"252\", \"component\": \"ARG\", \"entity_position\": 47, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.2534, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"260\", \"component\": \"TRP\", \"entity_position\": 55, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.787, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"271\", \"component\": \"GLU\", \"entity_position\": 66, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.5817, \"uniprot_position\": null}]",
            "pose_kind": "deposited_source_coordinates",
            "reference_model": "1",
            "source_coordinate_file": "Structures/DNMT3B__HUMAN__Q9UBC3/Co-Crystals/5NV2/original.cif",
            "source_coordinate_sha256": "90c69902789421dcb9c6982f74df193641fd6d84bf5163de125de814878ab7b1",
            "unique_heavy_atom_names": 5
          },
          "ligand_instance_id": "PDB:5NV2:LIG:K:SO4:403:.",
          "ligand_label_asym_id": "K",
          "minimum_Pfam_distance_angstrom": 2.2534,
          "minimum_chain_distance_angstrom": 2.2534,
          "minimum_core_distance_angstrom": 2.2534,
          "multiple_contacting_mapped_chains": 0,
          "pdb_id": "5NV2",
          "protein_id": "UP:Q9UBC3",
          "protein_label_asym_id": "B",
          "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:5NV2:LIG:K:SO4:403:.:SITE:UP:Q9UBC3:PWWP1:B",
          "source_coordinate_sha256": "90c69902789421dcb9c6982f74df193641fd6d84bf5163de125de814878ab7b1"
        },
        {
          "Pfam_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"232\", \"component\": \"LYS\", \"entity_position\": 27, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.1867, \"uniprot_position\": 232}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"236\", \"component\": \"PHE\", \"entity_position\": 31, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.9907, \"uniprot_position\": 236}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"237\", \"component\": \"SER\", \"entity_position\": 32, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.991, \"uniprot_position\": 237}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"238\", \"component\": \"TRP\", \"entity_position\": 33, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.1637, \"uniprot_position\": 238}]",
          "biochemical_activity_inferred": 0,
          "ccd_id": "SO4",
          "chain_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"232\", \"component\": \"LYS\", \"entity_position\": 27, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.1867, \"uniprot_position\": 232}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"236\", \"component\": \"PHE\", \"entity_position\": 31, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.9907, \"uniprot_position\": 236}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"237\", \"component\": \"SER\", \"entity_position\": 32, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.991, \"uniprot_position\": 237}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"238\", \"component\": \"TRP\", \"entity_position\": 33, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.1637, \"uniprot_position\": 238}]",
          "chain_id": "PDB:5NV2:CHAIN:B:UP:Q9UBC3",
          "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
          "contact_class": "native_annotation_core_contact",
          "contact_distance_rank": 1,
          "core_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"232\", \"component\": \"LYS\", \"entity_position\": 27, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.1867, \"uniprot_position\": 232}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"236\", \"component\": \"PHE\", \"entity_position\": 31, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.9907, \"uniprot_position\": 236}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"237\", \"component\": \"SER\", \"entity_position\": 32, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.991, \"uniprot_position\": 237}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"238\", \"component\": \"TRP\", \"entity_position\": 33, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.1637, \"uniprot_position\": 238}]",
          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:Q9UBC3:PWWP1",
          "exact_pwwp_contact": true,
          "gene": "DNMT3B",
          "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion",
          "instance": {
            "alternate_locations": "[]",
            "auth_asym_ids": "[\"B\"]",
            "auth_seq_id": "404",
            "ccd_id": "SO4",
            "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
            "component_context": "nonpolymer_component",
            "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 150, \"uniprot_ids\": [\"Q9UBC3\"]}]",
            "covalent_connection_ids": "[]",
            "heavy_atom_row_count": 5,
            "ideal_CCD_SDF_is_source_pose": 0,
            "label_asym_id": "L",
            "label_seq_id": null,
            "ligand_instance_id": "PDB:5NV2:LIG:L:SO4:404:.",
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            "nearest_polypeptide_label_asym_id": "B",
            "occupancy_max": 0.31,
            "occupancy_min": 0.31,
            "pdb_id": "5NV2",
            "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"232\", \"component\": \"LYS\", \"entity_position\": 27, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.1867, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"236\", \"component\": \"PHE\", \"entity_position\": 31, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.9907, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"237\", \"component\": \"SER\", \"entity_position\": 32, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.991, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"238\", \"component\": \"TRP\", \"entity_position\": 33, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.1637, \"uniprot_position\": null}]",
            "pose_kind": "deposited_source_coordinates",
            "reference_model": "1",
            "source_coordinate_file": "Structures/DNMT3B__HUMAN__Q9UBC3/Co-Crystals/5NV2/original.cif",
            "source_coordinate_sha256": "90c69902789421dcb9c6982f74df193641fd6d84bf5163de125de814878ab7b1",
            "unique_heavy_atom_names": 5
          },
          "ligand_instance_id": "PDB:5NV2:LIG:L:SO4:404:.",
          "ligand_label_asym_id": "L",
          "minimum_Pfam_distance_angstrom": 3.1637,
          "minimum_chain_distance_angstrom": 3.1637,
          "minimum_core_distance_angstrom": 3.1637,
          "multiple_contacting_mapped_chains": 0,
          "pdb_id": "5NV2",
          "protein_id": "UP:Q9UBC3",
          "protein_label_asym_id": "B",
          "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:5NV2:LIG:L:SO4:404:.:SITE:UP:Q9UBC3:PWWP1:B",
          "source_coordinate_sha256": "90c69902789421dcb9c6982f74df193641fd6d84bf5163de125de814878ab7b1"
        },
        {
          "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"308\", \"component\": \"LYS\", \"entity_position\": 103, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8683, \"uniprot_position\": 308}]",
          "biochemical_activity_inferred": 0,
          "ccd_id": "SO4",
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          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
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            "ideal_CCD_SDF_is_source_pose": 0,
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            "ligand_instance_id": "PDB:5NV7:LIG:D:SO4:402:.",
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          "multiple_contacting_mapped_chains": 0,
          "pdb_id": "5NV7",
          "protein_id": "UP:Q9UBC3",
          "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:5NV7:LIG:D:SO4:402:.:SITE:UP:Q9UBC3:PWWP1:A",
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          "chain_id": "PDB:5NV7:CHAIN:A:UP:Q9UBC3",
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          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:Q9UBC3:PWWP1",
          "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",
          "instance": {
            "alternate_locations": "[]",
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            "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
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            "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 150, \"uniprot_ids\": [\"Q9UBC3\"]}, {\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 150, \"uniprot_ids\": [\"Q9UBC3\"]}]",
            "covalent_connection_ids": "[]",
            "heavy_atom_row_count": 5,
            "ideal_CCD_SDF_is_source_pose": 0,
            "label_asym_id": "E",
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            "ligand_instance_id": "PDB:5NV7:LIG:E:SO4:403:.",
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            "occupancy_min": 0.81,
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            "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"251\", \"component\": \"LYS\", \"entity_position\": 46, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.367, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"252\", \"component\": \"ARG\", \"entity_position\": 47, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.7257, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"260\", \"component\": \"TRP\", \"entity_position\": 55, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.9886, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"269\", \"component\": \"PHE\", \"entity_position\": 64, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.67, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"271\", \"component\": \"GLU\", \"entity_position\": 66, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.538, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"300\", \"component\": \"LYS\", \"entity_position\": 95, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.9244, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"304\", \"component\": \"HIS\", \"entity_position\": 99, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.4617, \"uniprot_position\": null}]",
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          "minimum_core_distance_angstrom": 2.7257,
          "multiple_contacting_mapped_chains": 1,
          "pdb_id": "5NV7",
          "protein_id": "UP:Q9UBC3",
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          "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.",
          "role": "ion/additive",
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          "site_id": "PDB:5NV7:LIG:E:SO4:403:.:SITE:UP:Q9UBC3:PWWP1:A",
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          "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
          "contact_class": "broader_Pfam_PWWP_contact",
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          "core_contacts_5A": "[]",
          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:Q9UBC3:PWWP1",
          "exact_pwwp_contact": true,
          "gene": "DNMT3B",
          "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion",
          "instance": {
            "alternate_locations": "[]",
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            "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
            "component_context": "nonpolymer_component",
            "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 150, \"uniprot_ids\": [\"Q9UBC3\"]}, {\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 150, \"uniprot_ids\": [\"Q9UBC3\"]}]",
            "covalent_connection_ids": "[]",
            "heavy_atom_row_count": 5,
            "ideal_CCD_SDF_is_source_pose": 0,
            "label_asym_id": "E",
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            "ligand_instance_id": "PDB:5NV7:LIG:E:SO4:403:.",
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            "occupancy_max": 0.81,
            "occupancy_min": 0.81,
            "pdb_id": "5NV7",
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          "minimum_chain_distance_angstrom": 2.9244,
          "minimum_core_distance_angstrom": 6.7361,
          "multiple_contacting_mapped_chains": 1,
          "pdb_id": "5NV7",
          "protein_id": "UP:Q9UBC3",
          "protein_label_asym_id": "B",
          "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:5NV7:LIG:E:SO4:403:.:SITE:UP:Q9UBC3:PWWP1:B",
          "source_coordinate_sha256": "ab98f5d00f60fe78b9b0cc391381b550dca1ff8f496b469a7bc4dab2c5e66875"
        },
        {
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          "biochemical_activity_inferred": 0,
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          "chain_id": "PDB:5NV7:CHAIN:B:UP:Q9UBC3",
          "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
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          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:Q9UBC3:PWWP1",
          "exact_pwwp_contact": true,
          "gene": "DNMT3B",
          "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion",
          "instance": {
            "alternate_locations": "[]",
            "auth_asym_ids": "[\"B\"]",
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            "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
            "component_context": "nonpolymer_component",
            "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 150, \"uniprot_ids\": [\"Q9UBC3\"]}]",
            "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:5NV7:LIG:G:SO4:402:.",
            "nearest_polypeptide_distance_angstrom": 2.4912,
            "nearest_polypeptide_label_asym_id": "B",
            "occupancy_max": 0.71,
            "occupancy_min": 0.71,
            "pdb_id": "5NV7",
            "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"251\", \"component\": \"LYS\", \"entity_position\": 46, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.4912, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"252\", \"component\": \"ARG\", \"entity_position\": 47, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.6949, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"260\", \"component\": \"TRP\", \"entity_position\": 55, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.0237, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"269\", \"component\": \"PHE\", \"entity_position\": 64, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.1916, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"271\", \"component\": \"GLU\", \"entity_position\": 66, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.8883, \"uniprot_position\": null}]",
            "pose_kind": "deposited_source_coordinates",
            "reference_model": "1",
            "source_coordinate_file": "Structures/DNMT3B__HUMAN__Q9UBC3/Co-Crystals/5NV7/original.cif",
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          "ligand_instance_id": "PDB:5NV7:LIG:G:SO4:402:.",
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          "minimum_Pfam_distance_angstrom": 2.4912,
          "minimum_chain_distance_angstrom": 2.4912,
          "minimum_core_distance_angstrom": 2.4912,
          "multiple_contacting_mapped_chains": 0,
          "pdb_id": "5NV7",
          "protein_id": "UP:Q9UBC3",
          "protein_label_asym_id": "B",
          "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:5NV7:LIG:G:SO4:402:.:SITE:UP:Q9UBC3:PWWP1:B",
          "source_coordinate_sha256": "ab98f5d00f60fe78b9b0cc391381b550dca1ff8f496b469a7bc4dab2c5e66875"
        },
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          "biochemical_activity_inferred": 0,
          "ccd_id": "SO4",
          "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"221\", \"component\": \"LYS\", \"entity_position\": 16, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.6006, \"uniprot_position\": 221}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"275\", \"component\": \"ASP\", \"entity_position\": 70, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.9717, \"uniprot_position\": 275}]",
          "chain_id": "PDB:5NV7:CHAIN:A:UP:Q9UBC3",
          "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
          "contact_class": "native_annotation_core_contact",
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          "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"275\", \"component\": \"ASP\", \"entity_position\": 70, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.9717, \"uniprot_position\": 275}]",
          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:Q9UBC3:PWWP1",
          "exact_pwwp_contact": true,
          "gene": "DNMT3B",
          "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion",
          "instance": {
            "alternate_locations": "[]",
            "auth_asym_ids": "[\"B\"]",
            "auth_seq_id": "403",
            "ccd_id": "SO4",
            "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
            "component_context": "nonpolymer_component",
            "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 150, \"uniprot_ids\": [\"Q9UBC3\"]}, {\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 150, \"uniprot_ids\": [\"Q9UBC3\"]}]",
            "covalent_connection_ids": "[]",
            "heavy_atom_row_count": 5,
            "ideal_CCD_SDF_is_source_pose": 0,
            "label_asym_id": "H",
            "label_seq_id": null,
            "ligand_instance_id": "PDB:5NV7:LIG:H:SO4:403:.",
            "nearest_polypeptide_distance_angstrom": 2.6719,
            "nearest_polypeptide_label_asym_id": "B",
            "occupancy_max": 0.83,
            "occupancy_min": 0.83,
            "pdb_id": "5NV7",
            "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"221\", \"component\": \"LYS\", \"entity_position\": 16, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.6006, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"275\", \"component\": \"ASP\", \"entity_position\": 70, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.9717, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"308\", \"component\": \"LYS\", \"entity_position\": 103, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.6719, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"312\", \"component\": \"ARG\", \"entity_position\": 107, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.1117, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"349\", \"component\": \"LYS\", \"entity_position\": 144, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.3936, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"350\", \"component\": \"PRO\", \"entity_position\": 145, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.3659, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"351\", \"component\": \"ASN\", \"entity_position\": 146, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.1089, \"uniprot_position\": null}]",
            "pose_kind": "deposited_source_coordinates",
            "reference_model": "1",
            "source_coordinate_file": "Structures/DNMT3B__HUMAN__Q9UBC3/Co-Crystals/5NV7/original.cif",
            "source_coordinate_sha256": "ab98f5d00f60fe78b9b0cc391381b550dca1ff8f496b469a7bc4dab2c5e66875",
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          },
          "ligand_instance_id": "PDB:5NV7:LIG:H:SO4:403:.",
          "ligand_label_asym_id": "H",
          "minimum_Pfam_distance_angstrom": 3.9717,
          "minimum_chain_distance_angstrom": 3.9717,
          "minimum_core_distance_angstrom": 3.9717,
          "multiple_contacting_mapped_chains": 1,
          "pdb_id": "5NV7",
          "protein_id": "UP:Q9UBC3",
          "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:5NV7:LIG:H:SO4:403:.:SITE:UP:Q9UBC3:PWWP1:A",
          "source_coordinate_sha256": "ab98f5d00f60fe78b9b0cc391381b550dca1ff8f496b469a7bc4dab2c5e66875"
        },
        {
          "Pfam_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"308\", \"component\": \"LYS\", \"entity_position\": 103, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.6719, \"uniprot_position\": 308}]",
          "biochemical_activity_inferred": 0,
          "ccd_id": "SO4",
          "chain_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"308\", \"component\": \"LYS\", \"entity_position\": 103, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.6719, \"uniprot_position\": 308}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"312\", \"component\": \"ARG\", \"entity_position\": 107, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.1117, \"uniprot_position\": 312}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"349\", \"component\": \"LYS\", \"entity_position\": 144, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.3936, \"uniprot_position\": 349}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"350\", \"component\": \"PRO\", \"entity_position\": 145, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.3659, \"uniprot_position\": 350}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"351\", \"component\": \"ASN\", \"entity_position\": 146, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.1089, \"uniprot_position\": 351}]",
          "chain_id": "PDB:5NV7:CHAIN:B:UP:Q9UBC3",
          "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
          "contact_class": "broader_Pfam_PWWP_contact",
          "contact_distance_rank": 1,
          "core_contacts_5A": "[]",
          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:Q9UBC3:PWWP1",
          "exact_pwwp_contact": true,
          "gene": "DNMT3B",
          "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion",
          "instance": {
            "alternate_locations": "[]",
            "auth_asym_ids": "[\"B\"]",
            "auth_seq_id": "403",
            "ccd_id": "SO4",
            "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
            "component_context": "nonpolymer_component",
            "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 150, \"uniprot_ids\": [\"Q9UBC3\"]}, {\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 150, \"uniprot_ids\": [\"Q9UBC3\"]}]",
            "covalent_connection_ids": "[]",
            "heavy_atom_row_count": 5,
            "ideal_CCD_SDF_is_source_pose": 0,
            "label_asym_id": "H",
            "label_seq_id": null,
            "ligand_instance_id": "PDB:5NV7:LIG:H:SO4:403:.",
            "nearest_polypeptide_distance_angstrom": 2.6719,
            "nearest_polypeptide_label_asym_id": "B",
            "occupancy_max": 0.83,
            "occupancy_min": 0.83,
            "pdb_id": "5NV7",
            "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"221\", \"component\": \"LYS\", \"entity_position\": 16, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.6006, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"275\", \"component\": \"ASP\", \"entity_position\": 70, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.9717, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"308\", \"component\": \"LYS\", \"entity_position\": 103, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.6719, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"312\", \"component\": \"ARG\", \"entity_position\": 107, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.1117, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"349\", \"component\": \"LYS\", \"entity_position\": 144, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.3936, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"350\", \"component\": \"PRO\", \"entity_position\": 145, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.3659, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"351\", \"component\": \"ASN\", \"entity_position\": 146, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.1089, \"uniprot_position\": null}]",
            "pose_kind": "deposited_source_coordinates",
            "reference_model": "1",
            "source_coordinate_file": "Structures/DNMT3B__HUMAN__Q9UBC3/Co-Crystals/5NV7/original.cif",
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          },
          "ligand_instance_id": "PDB:5NV7:LIG:H:SO4:403:.",
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          "minimum_chain_distance_angstrom": 2.6719,
          "minimum_core_distance_angstrom": 5.8817,
          "multiple_contacting_mapped_chains": 1,
          "pdb_id": "5NV7",
          "protein_id": "UP:Q9UBC3",
          "protein_label_asym_id": "B",
          "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:5NV7:LIG:H:SO4:403:.:SITE:UP:Q9UBC3:PWWP1:B",
          "source_coordinate_sha256": "ab98f5d00f60fe78b9b0cc391381b550dca1ff8f496b469a7bc4dab2c5e66875"
        },
        {
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          "biochemical_activity_inferred": 0,
          "ccd_id": "SO4",
          "chain_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"234\", \"component\": \"LYS\", \"entity_position\": 29, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.2845, \"uniprot_position\": 234}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"276\", \"component\": \"LYS\", \"entity_position\": 71, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.7543, \"uniprot_position\": 276}]",
          "chain_id": "PDB:5NV7:CHAIN:B:UP:Q9UBC3",
          "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
          "contact_class": "native_annotation_core_contact",
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          "core_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"234\", \"component\": \"LYS\", \"entity_position\": 29, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.2845, \"uniprot_position\": 234}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"276\", \"component\": \"LYS\", \"entity_position\": 71, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.7543, \"uniprot_position\": 276}]",
          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:Q9UBC3:PWWP1",
          "exact_pwwp_contact": true,
          "gene": "DNMT3B",
          "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion",
          "instance": {
            "alternate_locations": "[]",
            "auth_asym_ids": "[\"B\"]",
            "auth_seq_id": "404",
            "ccd_id": "SO4",
            "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
            "component_context": "nonpolymer_component",
            "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 150, \"uniprot_ids\": [\"Q9UBC3\"]}]",
            "covalent_connection_ids": "[]",
            "heavy_atom_row_count": 5,
            "ideal_CCD_SDF_is_source_pose": 0,
            "label_asym_id": "I",
            "label_seq_id": null,
            "ligand_instance_id": "PDB:5NV7:LIG:I:SO4:404:.",
            "nearest_polypeptide_distance_angstrom": 3.2845,
            "nearest_polypeptide_label_asym_id": "B",
            "occupancy_max": 0.83,
            "occupancy_min": 0.83,
            "pdb_id": "5NV7",
            "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"234\", \"component\": \"LYS\", \"entity_position\": 29, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.2845, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"276\", \"component\": \"LYS\", \"entity_position\": 71, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.7543, \"uniprot_position\": null}]",
            "pose_kind": "deposited_source_coordinates",
            "reference_model": "1",
            "source_coordinate_file": "Structures/DNMT3B__HUMAN__Q9UBC3/Co-Crystals/5NV7/original.cif",
            "source_coordinate_sha256": "ab98f5d00f60fe78b9b0cc391381b550dca1ff8f496b469a7bc4dab2c5e66875",
            "unique_heavy_atom_names": 5
          },
          "ligand_instance_id": "PDB:5NV7:LIG:I:SO4:404:.",
          "ligand_label_asym_id": "I",
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          "minimum_chain_distance_angstrom": 3.2845,
          "minimum_core_distance_angstrom": 3.2845,
          "multiple_contacting_mapped_chains": 0,
          "pdb_id": "5NV7",
          "protein_id": "UP:Q9UBC3",
          "protein_label_asym_id": "B",
          "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:5NV7:LIG:I:SO4:404:.:SITE:UP:Q9UBC3:PWWP1:B",
          "source_coordinate_sha256": "ab98f5d00f60fe78b9b0cc391381b550dca1ff8f496b469a7bc4dab2c5e66875"
        },
        {
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          "biochemical_activity_inferred": 0,
          "ccd_id": "SO4",
          "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"310\", \"component\": \"ARG\", \"entity_position\": 105, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3804, \"uniprot_position\": 310}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"311\", \"component\": \"VAL\", \"entity_position\": 106, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5241, \"uniprot_position\": 311}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"316\", \"component\": \"THR\", \"entity_position\": 111, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.3967, \"uniprot_position\": 316}]",
          "chain_id": "PDB:5NVO:CHAIN:A:UP:Q9UBC3",
          "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
          "contact_class": "broader_Pfam_PWWP_contact",
          "contact_distance_rank": 1,
          "core_contacts_5A": "[]",
          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:Q9UBC3:PWWP1",
          "exact_pwwp_contact": true,
          "gene": "DNMT3B",
          "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": "402",
            "ccd_id": "SO4",
            "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
            "component_context": "nonpolymer_component",
            "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 150, \"uniprot_ids\": [\"Q9UBC3\"]}]",
            "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:5NVO:LIG:D:SO4:402:.",
            "nearest_polypeptide_distance_angstrom": 3.3804,
            "nearest_polypeptide_label_asym_id": "A",
            "occupancy_max": 0.81,
            "occupancy_min": 0.81,
            "pdb_id": "5NVO",
            "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"310\", \"component\": \"ARG\", \"entity_position\": 105, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3804, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"311\", \"component\": \"VAL\", \"entity_position\": 106, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5241, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"316\", \"component\": \"THR\", \"entity_position\": 111, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.3967, \"uniprot_position\": null}]",
            "pose_kind": "deposited_source_coordinates",
            "reference_model": "1",
            "source_coordinate_file": "Structures/DNMT3B__HUMAN__Q9UBC3/Co-Crystals/5NVO/original.cif",
            "source_coordinate_sha256": "2064abc26e049d5b45a8e32a53fa1536f42e4d3017076d719e8a29a5a6b4ae9c",
            "unique_heavy_atom_names": 5
          },
          "ligand_instance_id": "PDB:5NVO:LIG:D:SO4:402:.",
          "ligand_label_asym_id": "D",
          "minimum_Pfam_distance_angstrom": 3.3804,
          "minimum_chain_distance_angstrom": 3.3804,
          "minimum_core_distance_angstrom": 14.0958,
          "multiple_contacting_mapped_chains": 0,
          "pdb_id": "5NVO",
          "protein_id": "UP:Q9UBC3",
          "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:5NVO:LIG:D:SO4:402:.:SITE:UP:Q9UBC3:PWWP1:A",
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          "core_contacts_5A": "[]",
          "covalent_connection_ids": "[]",
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            "ideal_CCD_SDF_is_source_pose": 0,
            "label_asym_id": "E",
            "label_seq_id": null,
            "ligand_instance_id": "PDB:5NVO:LIG:E:SO4:403:.",
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            "occupancy_min": 1.0,
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            "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"308\", \"component\": \"LYS\", \"entity_position\": 103, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.7916, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"312\", \"component\": \"ARG\", \"entity_position\": 107, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3345, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"349\", \"component\": \"LYS\", \"entity_position\": 144, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.9161, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"350\", \"component\": \"PRO\", \"entity_position\": 145, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6734, \"uniprot_position\": null}]",
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          "multiple_contacting_mapped_chains": 0,
          "pdb_id": "5NVO",
          "protein_id": "UP:Q9UBC3",
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          "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.",
          "role": "ion/additive",
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          "biochemical_activity_inferred": 0,
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          "chain_id": "PDB:5NVO:CHAIN:A:UP:Q9UBC3",
          "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
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          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:Q9UBC3:PWWP1",
          "exact_pwwp_contact": true,
          "gene": "DNMT3B",
          "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion",
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            "alternate_locations": "[]",
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            "auth_seq_id": "404",
            "ccd_id": "SO4",
            "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
            "component_context": "nonpolymer_component",
            "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 150, \"uniprot_ids\": [\"Q9UBC3\"]}, {\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 150, \"uniprot_ids\": [\"Q9UBC3\"]}]",
            "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:5NVO:LIG:F:SO4:404:.",
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            "occupancy_min": 0.78,
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            "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"251\", \"component\": \"LYS\", \"entity_position\": 46, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8351, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"252\", \"component\": \"ARG\", \"entity_position\": 47, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.5113, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"260\", \"component\": \"TRP\", \"entity_position\": 55, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.143, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"269\", \"component\": \"PHE\", \"entity_position\": 64, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.6429, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"271\", \"component\": \"GLU\", \"entity_position\": 66, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8371, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"304\", \"component\": \"HIS\", \"entity_position\": 99, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.3886, \"uniprot_position\": null}]",
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          "protein_id": "UP:Q9UBC3",
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          "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.",
          "role": "ion/additive",
          "role_category": "incidental",
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        {
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          "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
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          "core_contacts_5A": "[]",
          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:Q9UBC3:PWWP1",
          "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:QAOWNCQODCNURD-UHFFFAOYSA-L",
            "component_context": "nonpolymer_component",
            "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 150, \"uniprot_ids\": [\"Q9UBC3\"]}, {\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 150, \"uniprot_ids\": [\"Q9UBC3\"]}]",
            "covalent_connection_ids": "[]",
            "heavy_atom_row_count": 5,
            "ideal_CCD_SDF_is_source_pose": 0,
            "label_asym_id": "F",
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            "ligand_instance_id": "PDB:5NVO:LIG:F:SO4:404:.",
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            "nearest_polypeptide_label_asym_id": "A",
            "occupancy_max": 0.78,
            "occupancy_min": 0.78,
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            "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"251\", \"component\": \"LYS\", \"entity_position\": 46, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8351, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"252\", \"component\": \"ARG\", \"entity_position\": 47, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.5113, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"260\", \"component\": \"TRP\", \"entity_position\": 55, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.143, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"269\", \"component\": \"PHE\", \"entity_position\": 64, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.6429, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"271\", \"component\": \"GLU\", \"entity_position\": 66, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8371, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"304\", \"component\": \"HIS\", \"entity_position\": 99, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.3886, \"uniprot_position\": null}]",
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          "multiple_contacting_mapped_chains": 1,
          "pdb_id": "5NVO",
          "protein_id": "UP:Q9UBC3",
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          "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.",
          "role": "ion/additive",
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        },
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          "biochemical_activity_inferred": 0,
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          "chain_id": "PDB:5NVO:CHAIN:A:UP:Q9UBC3",
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          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
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          "exact_pwwp_contact": true,
          "gene": "DNMT3B",
          "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion",
          "instance": {
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            "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
            "component_context": "nonpolymer_component",
            "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 150, \"uniprot_ids\": [\"Q9UBC3\"]}, {\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 150, \"uniprot_ids\": [\"Q9UBC3\"]}]",
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            "heavy_atom_row_count": 5,
            "ideal_CCD_SDF_is_source_pose": 0,
            "label_asym_id": "G",
            "label_seq_id": null,
            "ligand_instance_id": "PDB:5NVO:LIG:G:SO4:405:.",
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            "nearest_polypeptide_label_asym_id": "A",
            "occupancy_max": 0.64,
            "occupancy_min": 0.64,
            "pdb_id": "5NVO",
            "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"250\", \"component\": \"SER\", \"entity_position\": 45, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.1831, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"251\", \"component\": \"LYS\", \"entity_position\": 46, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.1368, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"252\", \"component\": \"ARG\", \"entity_position\": 47, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.4432, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"265\", \"component\": \"GLY\", \"entity_position\": 60, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.2205, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"300\", \"component\": \"LYS\", \"entity_position\": 95, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.2514, \"uniprot_position\": null}]",
            "pose_kind": "deposited_source_coordinates",
            "reference_model": "1",
            "source_coordinate_file": "Structures/DNMT3B__HUMAN__Q9UBC3/Co-Crystals/5NVO/original.cif",
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            "unique_heavy_atom_names": 5
          },
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          "ligand_label_asym_id": "G",
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          "minimum_chain_distance_angstrom": 2.4432,
          "minimum_core_distance_angstrom": 2.4432,
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          "protein_id": "UP:Q9UBC3",
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          "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:5NVO:LIG:G:SO4:405:.:SITE:UP:Q9UBC3:PWWP1:A",
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          "biochemical_activity_inferred": 0,
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          "chain_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"265\", \"component\": \"GLY\", \"entity_position\": 60, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.2205, \"uniprot_position\": 265}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"300\", \"component\": \"LYS\", \"entity_position\": 95, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.2514, \"uniprot_position\": 300}]",
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          "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
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          "core_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"265\", \"component\": \"GLY\", \"entity_position\": 60, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.2205, \"uniprot_position\": 265}]",
          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:Q9UBC3:PWWP1",
          "exact_pwwp_contact": true,
          "gene": "DNMT3B",
          "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\"]",
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            "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
            "component_context": "nonpolymer_component",
            "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 150, \"uniprot_ids\": [\"Q9UBC3\"]}, {\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 150, \"uniprot_ids\": [\"Q9UBC3\"]}]",
            "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:5NVO:LIG:G:SO4:405:.",
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            "occupancy_min": 0.64,
            "pdb_id": "5NVO",
            "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"250\", \"component\": \"SER\", \"entity_position\": 45, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.1831, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"251\", \"component\": \"LYS\", \"entity_position\": 46, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.1368, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"252\", \"component\": \"ARG\", \"entity_position\": 47, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.4432, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"265\", \"component\": \"GLY\", \"entity_position\": 60, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.2205, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"300\", \"component\": \"LYS\", \"entity_position\": 95, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.2514, \"uniprot_position\": null}]",
            "pose_kind": "deposited_source_coordinates",
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          "pdb_id": "5NVO",
          "protein_id": "UP:Q9UBC3",
          "protein_label_asym_id": "B",
          "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:5NVO:LIG:G:SO4:405:.:SITE:UP:Q9UBC3:PWWP1:B",
          "source_coordinate_sha256": "2064abc26e049d5b45a8e32a53fa1536f42e4d3017076d719e8a29a5a6b4ae9c"
        },
        {
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          "biochemical_activity_inferred": 0,
          "ccd_id": "SO4",
          "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"234\", \"component\": \"LYS\", \"entity_position\": 29, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.438, \"uniprot_position\": 234}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"276\", \"component\": \"LYS\", \"entity_position\": 71, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.2741, \"uniprot_position\": 276}]",
          "chain_id": "PDB:5NVO:CHAIN:A:UP:Q9UBC3",
          "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
          "contact_class": "native_annotation_core_contact",
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          "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"234\", \"component\": \"LYS\", \"entity_position\": 29, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.438, \"uniprot_position\": 234}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"276\", \"component\": \"LYS\", \"entity_position\": 71, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.2741, \"uniprot_position\": 276}]",
          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:Q9UBC3:PWWP1",
          "exact_pwwp_contact": true,
          "gene": "DNMT3B",
          "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": "406",
            "ccd_id": "SO4",
            "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
            "component_context": "nonpolymer_component",
            "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 150, \"uniprot_ids\": [\"Q9UBC3\"]}, {\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 150, \"uniprot_ids\": [\"Q9UBC3\"]}]",
            "covalent_connection_ids": "[]",
            "heavy_atom_row_count": 5,
            "ideal_CCD_SDF_is_source_pose": 0,
            "label_asym_id": "H",
            "label_seq_id": null,
            "ligand_instance_id": "PDB:5NVO:LIG:H:SO4:406:.",
            "nearest_polypeptide_distance_angstrom": 2.9902,
            "nearest_polypeptide_label_asym_id": "B",
            "occupancy_max": 0.74,
            "occupancy_min": 0.74,
            "pdb_id": "5NVO",
            "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"234\", \"component\": \"LYS\", \"entity_position\": 29, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.438, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"276\", \"component\": \"LYS\", \"entity_position\": 71, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.2741, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"307\", \"component\": \"GLU\", \"entity_position\": 102, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.9773, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"310\", \"component\": \"ARG\", \"entity_position\": 105, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.9902, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"311\", \"component\": \"VAL\", \"entity_position\": 106, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.1401, \"uniprot_position\": null}]",
            "pose_kind": "deposited_source_coordinates",
            "reference_model": "1",
            "source_coordinate_file": "Structures/DNMT3B__HUMAN__Q9UBC3/Co-Crystals/5NVO/original.cif",
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            "unique_heavy_atom_names": 5
          },
          "ligand_instance_id": "PDB:5NVO:LIG:H:SO4:406:.",
          "ligand_label_asym_id": "H",
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          "minimum_core_distance_angstrom": 3.2741,
          "multiple_contacting_mapped_chains": 1,
          "pdb_id": "5NVO",
          "protein_id": "UP:Q9UBC3",
          "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:5NVO:LIG:H:SO4:406:.:SITE:UP:Q9UBC3:PWWP1:A",
          "source_coordinate_sha256": "2064abc26e049d5b45a8e32a53fa1536f42e4d3017076d719e8a29a5a6b4ae9c"
        },
        {
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          "biochemical_activity_inferred": 0,
          "ccd_id": "SO4",
          "chain_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"307\", \"component\": \"GLU\", \"entity_position\": 102, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.9773, \"uniprot_position\": 307}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"310\", \"component\": \"ARG\", \"entity_position\": 105, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.9902, \"uniprot_position\": 310}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"311\", \"component\": \"VAL\", \"entity_position\": 106, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.1401, \"uniprot_position\": 311}]",
          "chain_id": "PDB:5NVO:CHAIN:B:UP:Q9UBC3",
          "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
          "contact_class": "broader_Pfam_PWWP_contact",
          "contact_distance_rank": 1,
          "core_contacts_5A": "[]",
          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:Q9UBC3:PWWP1",
          "exact_pwwp_contact": true,
          "gene": "DNMT3B",
          "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\"]",
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            "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
            "component_context": "nonpolymer_component",
            "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 150, \"uniprot_ids\": [\"Q9UBC3\"]}, {\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 150, \"uniprot_ids\": [\"Q9UBC3\"]}]",
            "covalent_connection_ids": "[]",
            "heavy_atom_row_count": 5,
            "ideal_CCD_SDF_is_source_pose": 0,
            "label_asym_id": "H",
            "label_seq_id": null,
            "ligand_instance_id": "PDB:5NVO:LIG:H:SO4:406:.",
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            "occupancy_min": 0.74,
            "pdb_id": "5NVO",
            "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"234\", \"component\": \"LYS\", \"entity_position\": 29, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.438, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"276\", \"component\": \"LYS\", \"entity_position\": 71, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.2741, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"307\", \"component\": \"GLU\", \"entity_position\": 102, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.9773, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"310\", \"component\": \"ARG\", \"entity_position\": 105, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.9902, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"311\", \"component\": \"VAL\", \"entity_position\": 106, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.1401, \"uniprot_position\": null}]",
            "pose_kind": "deposited_source_coordinates",
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            "source_coordinate_file": "Structures/DNMT3B__HUMAN__Q9UBC3/Co-Crystals/5NVO/original.cif",
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          "ligand_instance_id": "PDB:5NVO:LIG:H:SO4:406:.",
          "ligand_label_asym_id": "H",
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          "minimum_chain_distance_angstrom": 2.9902,
          "minimum_core_distance_angstrom": 13.585,
          "multiple_contacting_mapped_chains": 1,
          "pdb_id": "5NVO",
          "protein_id": "UP:Q9UBC3",
          "protein_label_asym_id": "B",
          "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:5NVO:LIG:H:SO4:406:.:SITE:UP:Q9UBC3:PWWP1:B",
          "source_coordinate_sha256": "2064abc26e049d5b45a8e32a53fa1536f42e4d3017076d719e8a29a5a6b4ae9c"
        },
        {
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          "biochemical_activity_inferred": 0,
          "ccd_id": "SO4",
          "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"232\", \"component\": \"LYS\", \"entity_position\": 27, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.1415, \"uniprot_position\": 232}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"233\", \"component\": \"ILE\", \"entity_position\": 28, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.7617, \"uniprot_position\": 233}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"234\", \"component\": \"LYS\", \"entity_position\": 29, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.2985, \"uniprot_position\": 234}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"235\", \"component\": \"GLY\", \"entity_position\": 30, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.7908, \"uniprot_position\": 235}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"236\", \"component\": \"PHE\", \"entity_position\": 31, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.742, \"uniprot_position\": 236}]",
          "chain_id": "PDB:5NVO:CHAIN:A:UP:Q9UBC3",
          "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
          "contact_class": "native_annotation_core_contact",
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          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:Q9UBC3:PWWP1",
          "exact_pwwp_contact": true,
          "gene": "DNMT3B",
          "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": "407",
            "ccd_id": "SO4",
            "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
            "component_context": "nonpolymer_component",
            "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 150, \"uniprot_ids\": [\"Q9UBC3\"]}]",
            "covalent_connection_ids": "[]",
            "heavy_atom_row_count": 5,
            "ideal_CCD_SDF_is_source_pose": 0,
            "label_asym_id": "I",
            "label_seq_id": null,
            "ligand_instance_id": "PDB:5NVO:LIG:I:SO4:407:.",
            "nearest_polypeptide_distance_angstrom": 2.7908,
            "nearest_polypeptide_label_asym_id": "A",
            "occupancy_max": 0.65,
            "occupancy_min": 0.65,
            "pdb_id": "5NVO",
            "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"232\", \"component\": \"LYS\", \"entity_position\": 27, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.1415, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"233\", \"component\": \"ILE\", \"entity_position\": 28, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.7617, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"234\", \"component\": \"LYS\", \"entity_position\": 29, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.2985, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"235\", \"component\": \"GLY\", \"entity_position\": 30, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.7908, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"236\", \"component\": \"PHE\", \"entity_position\": 31, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.742, \"uniprot_position\": null}]",
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          "minimum_core_distance_angstrom": 2.7908,
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          "role": "ion/additive",
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          "covalent_connection_ids": "[]",
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            "covalent_connection_ids": "[]",
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            "ligand_instance_id": "PDB:5NVO:LIG:K:SO4:402:.",
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          "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.",
          "role": "ion/additive",
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          "core_contacts_5A": "[]",
          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
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          "exact_pwwp_contact": true,
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            "covalent_connection_ids": "[]",
            "heavy_atom_row_count": 5,
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            "label_asym_id": "K",
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            "ligand_instance_id": "PDB:5NVO:LIG:K:SO4:402:.",
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            "occupancy_min": 0.85,
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          "pdb_id": "5NVO",
          "protein_id": "UP:Q9UBC3",
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          "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:5NVO:LIG:K:SO4:402:.:SITE:UP:Q9UBC3:PWWP1:B",
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          "cutoff_angstrom": 5.0,
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            "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
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            "covalent_connection_ids": "[]",
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          "protein_id": "UP:Q9UBC3",
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          "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
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          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:Q9UBC3:PWWP1",
          "exact_pwwp_contact": true,
          "gene": "DNMT3B",
          "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion",
          "instance": {
            "alternate_locations": "[]",
            "auth_asym_ids": "[\"B\"]",
            "auth_seq_id": "404",
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            "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
            "component_context": "nonpolymer_component",
            "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 150, \"uniprot_ids\": [\"Q9UBC3\"]}]",
            "covalent_connection_ids": "[]",
            "heavy_atom_row_count": 5,
            "ideal_CCD_SDF_is_source_pose": 0,
            "label_asym_id": "M",
            "label_seq_id": null,
            "ligand_instance_id": "PDB:5NVO:LIG:M:SO4:404:.",
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            "nearest_polypeptide_label_asym_id": "B",
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            "occupancy_min": 0.35,
            "pdb_id": "5NVO",
            "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"232\", \"component\": \"LYS\", \"entity_position\": 27, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.6193, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"237\", \"component\": \"SER\", \"entity_position\": 32, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.8052, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"238\", \"component\": \"TRP\", \"entity_position\": 33, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.2569, \"uniprot_position\": null}]",
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          "minimum_core_distance_angstrom": 2.6193,
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          "core_contacts_5A": "[]",
          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
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            "covalent_connection_ids": "[]",
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            "ideal_CCD_SDF_is_source_pose": 0,
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          "exact_pwwp_contact": true,
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          "instance": {
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            "auth_asym_ids": "[\"A\"]",
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            "component_context": "nonpolymer_component",
            "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3B,DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 274, \"uniprot_ids\": [\"Q9UBC3\"]}, {\"description\": \"DNA (cytosine-5)-methyltransferase 3B,DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 274, \"uniprot_ids\": [\"Q9UBC3\"]}]",
            "covalent_connection_ids": "[]",
            "heavy_atom_row_count": 5,
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          "covalent_connection_ids": "[]",
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          "protein_id": "UP:Q9UBC3",
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          "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.",
          "role": "ion/additive",
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        {
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          "ccd_id": "SO4",
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          "chain_id": "PDB:6R3E:CHAIN:B:UP:Q9UBC3",
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          "contact_class": "noncore_contact_in_multidomain_chain",
          "contact_distance_rank": 2,
          "core_contacts_5A": "[]",
          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:Q9UBC3:PWWP1",
          "exact_pwwp_contact": false,
          "gene": "DNMT3B",
          "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\"]",
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            "ccd_id": "SO4",
            "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
            "component_context": "nonpolymer_component",
            "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3B,DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 274, \"uniprot_ids\": [\"Q9UBC3\"]}, {\"description\": \"DNA (cytosine-5)-methyltransferase 3B,DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 274, \"uniprot_ids\": [\"Q9UBC3\"]}]",
            "covalent_connection_ids": "[]",
            "heavy_atom_row_count": 5,
            "ideal_CCD_SDF_is_source_pose": 0,
            "label_asym_id": "F",
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            "occupancy_min": 1.0,
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            "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"234\", \"component\": \"LYS\", \"entity_position\": 20, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.2598, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"276\", \"component\": \"LYS\", \"entity_position\": 62, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.942, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"310\", \"component\": \"ARG\", \"entity_position\": 96, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.356, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"311\", \"component\": \"VAL\", \"entity_position\": 97, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.1887, \"uniprot_position\": null}]",
            "pose_kind": "deposited_source_coordinates",
            "reference_model": "1",
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          },
          "ligand_instance_id": "PDB:6R3E:LIG:F:SO4:504:.",
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          "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:6R3E:LIG:F:SO4:504:.:SITE:UP:Q9UBC3:PWWP1:B",
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        },
        {
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          "contact_class": "native_annotation_core_contact",
          "contact_distance_rank": 1,
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          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:Q9UBC3:PWWP1",
          "exact_pwwp_contact": true,
          "gene": "DNMT3B",
          "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion",
          "instance": {
            "alternate_locations": "[]",
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            "ccd_id": "SO4",
            "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
            "component_context": "nonpolymer_component",
            "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3B,DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 274, \"uniprot_ids\": [\"Q9UBC3\"]}]",
            "covalent_connection_ids": "[]",
            "heavy_atom_row_count": 5,
            "ideal_CCD_SDF_is_source_pose": 0,
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            "label_seq_id": null,
            "ligand_instance_id": "PDB:6R3E:LIG:G:SO4:501:.",
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            "nearest_polypeptide_label_asym_id": "B",
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            "occupancy_min": 0.71,
            "pdb_id": "6R3E",
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            "pose_kind": "deposited_source_coordinates",
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            "source_coordinate_file": "Structures/DNMT3B__HUMAN__Q9UBC3/Co-Crystals/6R3E/original.cif",
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          },
          "ligand_instance_id": "PDB:6R3E:LIG:G:SO4:501:.",
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          "minimum_core_distance_angstrom": 2.5607,
          "multiple_contacting_mapped_chains": 0,
          "pdb_id": "6R3E",
          "protein_id": "UP:Q9UBC3",
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          "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:6R3E:LIG:G:SO4:501:.:SITE:UP:Q9UBC3:PWWP1:B",
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        },
        {
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          "biochemical_activity_inferred": 0,
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          "chain_id": "PDB:6R3E:CHAIN:A:UP:Q9UBC3",
          "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
          "contact_class": "native_annotation_core_contact",
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          "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"275\", \"component\": \"ASP\", \"entity_position\": 61, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4733, \"uniprot_position\": 275}]",
          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:Q9UBC3:PWWP1",
          "exact_pwwp_contact": true,
          "gene": "DNMT3B",
          "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion",
          "instance": {
            "alternate_locations": "[]",
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            "component_context": "nonpolymer_component",
            "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3B,DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 274, \"uniprot_ids\": [\"Q9UBC3\"]}, {\"description\": \"DNA (cytosine-5)-methyltransferase 3B,DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 274, \"uniprot_ids\": [\"Q9UBC3\"]}]",
            "covalent_connection_ids": "[]",
            "heavy_atom_row_count": 5,
            "ideal_CCD_SDF_is_source_pose": 0,
            "label_asym_id": "H",
            "label_seq_id": null,
            "ligand_instance_id": "PDB:6R3E:LIG:H:SO4:502:.",
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            "nearest_polypeptide_label_asym_id": "B",
            "occupancy_max": 0.82,
            "occupancy_min": 0.82,
            "pdb_id": "6R3E",
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            "pose_kind": "deposited_source_coordinates",
            "reference_model": "1",
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          },
          "ligand_instance_id": "PDB:6R3E:LIG:H:SO4:502:.",
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          "pdb_id": "6R3E",
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          "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:6R3E:LIG:H:SO4:502:.:SITE:UP:Q9UBC3:PWWP1:A",
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        },
        {
          "Pfam_contacts_5A": "[]",
          "biochemical_activity_inferred": 0,
          "ccd_id": "SO4",
          "chain_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"308\", \"component\": \"LYS\", \"entity_position\": 94, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.8081, \"uniprot_position\": 308}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"312\", \"component\": \"ARG\", \"entity_position\": 98, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.9201, \"uniprot_position\": 312}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"349\", \"component\": \"LYS\", \"entity_position\": 135, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.1631, \"uniprot_position\": 349}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"350\", \"component\": \"PRO\", \"entity_position\": 136, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.043, \"uniprot_position\": 350}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"351\", \"component\": \"ASN\", \"entity_position\": 137, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.9796, \"uniprot_position\": 351}]",
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          "contact_class": "noncore_contact_in_multidomain_chain",
          "contact_distance_rank": 1,
          "core_contacts_5A": "[]",
          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:Q9UBC3:PWWP1",
          "exact_pwwp_contact": false,
          "gene": "DNMT3B",
          "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion",
          "instance": {
            "alternate_locations": "[]",
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            "component_context": "nonpolymer_component",
            "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3B,DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 274, \"uniprot_ids\": [\"Q9UBC3\"]}, {\"description\": \"DNA (cytosine-5)-methyltransferase 3B,DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 274, \"uniprot_ids\": [\"Q9UBC3\"]}]",
            "covalent_connection_ids": "[]",
            "heavy_atom_row_count": 5,
            "ideal_CCD_SDF_is_source_pose": 0,
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            "occupancy_min": 0.82,
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          "minimum_chain_distance_angstrom": 2.8081,
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          "pdb_id": "6R3E",
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          "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:6R3E:LIG:H:SO4:502:.:SITE:UP:Q9UBC3:PWWP1:B",
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        }
      ],
      "context_assay_count": 0,
      "context_measured_count": 0,
      "context_bound_count": 10,
      "context_pdb_count": 10,
      "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": 92,
        "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",
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          "PDB:9G94:LIG:I:SO4:103:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "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",
          "PDB:3QBY:LIG:R:SO4:94:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HGO:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:9I7I:LIG:G:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HG6:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HG7:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HGN:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HHP:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HGC:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HG9:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HGE:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HHB:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HG3:LIG:I:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HG4:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HG0:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HH9:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HH4:LIG:I:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:9GRS:LIG:H:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HGD:LIG:I:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HH7:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:9G94:LIG:H:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HHO:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HH5:LIG:J:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HHR:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HGF:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HG2:LIG:I:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HGT:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HHK:LIG:I:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HHE:LIG:I:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HHM:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HH1:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HGH:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HGR:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HHA:LIG:I:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HGK:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HGG:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HGV:LIG:I:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HGS:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HGU:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HHI:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HHH:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HH0:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HGI:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HHQ:LIG:I:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HG1:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HH6:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HH3:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HGJ:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HG5:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HG8:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HGM:LIG:I:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HHF:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HHN:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HGZ:LIG:J:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HH2:LIG:I:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HGW:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HGL:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:9GRU:LIG:H:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HGQ:LIG:H:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:7HH8:LIG:J:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:9G96:LIG:K:SO4:105:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:9G91:LIG:J:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:2X4Y:LIG:T:SO4:2205:.:SITE:UP:P55201:PWWP1:C",
          "PDB:2X4Y:LIG:U:SO4:1041:.:SITE:UP:P55201:PWWP1:C",
          "PDB:7HHI:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
          "PDB:7HGQ:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
          "PDB:7HH9:LIG:K:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
          "PDB:7HHM:LIG:K:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
          "PDB:7HG1:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
          "PDB:7HGD:LIG:M:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
          "PDB:7HGV:LIG:L:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
          "PDB:7HGR:LIG:K:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
          "PDB:7HGG:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
          "PDB:7HH6:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
          "PDB:7HGK:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
          "PDB:7HGS:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
          "PDB:7HHQ:LIG:L:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
          "PDB:7HH3:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
          "PDB:7HG3:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
          "PDB:7HGL:LIG:K:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
          "PDB:7HHA:LIG:L:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
          "PDB:7HH1:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
          "PDB:9I7I:LIG:J:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
          "PDB:7HGB:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
          "PDB:7HHR:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
          "PDB:7HHP:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
          "PDB:7HGJ:LIG:K:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
          "PDB:7HGI:LIG:K:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
          "PDB:7HGW:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
          "PDB:7HG4:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
          "PDB:7HH5:LIG:L:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
          "PDB:7HHE:LIG:L:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
          "PDB:7HGU:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
          "PDB:7HGP:LIG:M:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
          "PDB:7HGO:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
          "PDB:7HG7:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
          "PDB:7HGC:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
          "PDB:7HGT:LIG:K:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
          "PDB:7HHL:LIG:K:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
          "PDB:7HHJ:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
          "PDB:7HHN:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
          "PDB:7HHK:LIG:L:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
          "PDB:7HH7:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
          "PDB:7HHC:LIG:K:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
          "PDB:7HG9:LIG:K:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
          "PDB:7HGE:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
          "PDB:7HG5:LIG:K:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
          "PDB:7HHB:LIG:K:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
          "PDB:7HHD:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
          "PDB:7HGM:LIG:L:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
          "PDB:9I7G:LIG:I:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
          "PDB:7HHG:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
          "PDB:7HG6:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
          "PDB:7HHO:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
          "PDB:7HGH:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
          "PDB:7HGF:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
          "PDB:7HGA:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
          "PDB:7HG2:LIG:M:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
          "PDB:7HHH:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
          "PDB:7HGZ:LIG:M:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
          "PDB:9I7C:LIG:K:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
          "PDB:7HG8:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
          "PDB:7HGN:LIG:K:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
          "PDB:7HH0:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
          "PDB:7HG0:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
          "PDB:7HH8:LIG:M:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
          "PDB:7HGY:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
          "PDB:7HGX:LIG:K:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
          "PDB:7HH2:LIG:K:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
          "PDB:7HH4:LIG:L:SO4:101:.:SITE:UP:Q7Z4V5:PWWP1:C",
          "PDB:9GRT:LIG:N:SO4:104:.:SITE:UP:Q7Z4V5:PWWP1:C",
          "PDB:7HHF:LIG:L:SO4:102:.:SITE:UP:Q7Z4V5:PWWP1:C",
          "PDB:9GRT:LIG:M:SO4:103:.:SITE:UP:Q7Z4V5:PWWP1:C",
          "PDB:9GRS:LIG:L:SO4:602:.:SITE:UP:Q7Z4V5:PWWP1:C",
          "PDB: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:3QKJ:LIG:F:SO4:3:.:SITE:UP:Q9UBC3:PWWP1:A": {
          "ccd_url": "https://www.rcsb.org/ligand/SO4",
          "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
          "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
          "contact_class": "broader_Pfam_PWWP_contact",
          "coordinate_sha256": "e94a2082f64ba107b7c13187a1af6dc528db6e5340be742ad57500d752199174",
          "domain_id": "UP:Q9UBC3:PWWP1",
          "exact_pwwp_contact": true,
          "ligand_instance_id": "PDB:3QKJ:LIG:F:SO4:3:.",
          "observed_other_component": true,
          "pdb_id": "3QKJ",
          "protein_id": "UP:Q9UBC3",
          "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:3QKJ:LIG:F:SO4:3:.:SITE:UP:Q9UBC3:PWWP1:A",
          "source_role": "ion/additive",
          "source_url": "https://www.rcsb.org/structure/3QKJ",
          "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:3QKJ:LIG:F:SO4:3:.:SITE:UP:Q9UBC3:PWWP1:D": {
          "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": "e94a2082f64ba107b7c13187a1af6dc528db6e5340be742ad57500d752199174",
          "domain_id": "UP:Q9UBC3:PWWP1",
          "exact_pwwp_contact": true,
          "ligand_instance_id": "PDB:3QKJ:LIG:F:SO4:3:.",
          "observed_other_component": true,
          "pdb_id": "3QKJ",
          "protein_id": "UP:Q9UBC3",
          "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:3QKJ:LIG:F:SO4:3:.:SITE:UP:Q9UBC3:PWWP1:D",
          "source_role": "ion/additive",
          "source_url": "https://www.rcsb.org/structure/3QKJ",
          "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:3QKJ:LIG:G:SO4:4:.:SITE:UP:Q9UBC3:PWWP1:A": {
          "ccd_url": "https://www.rcsb.org/ligand/SO4",
          "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
          "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
          "contact_class": "broader_Pfam_PWWP_contact",
          "coordinate_sha256": "e94a2082f64ba107b7c13187a1af6dc528db6e5340be742ad57500d752199174",
          "domain_id": "UP:Q9UBC3:PWWP1",
          "exact_pwwp_contact": true,
          "ligand_instance_id": "PDB:3QKJ:LIG:G:SO4:4:.",
          "observed_other_component": true,
          "pdb_id": "3QKJ",
          "protein_id": "UP:Q9UBC3",
          "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:3QKJ:LIG:G:SO4:4:.:SITE:UP:Q9UBC3:PWWP1:A",
          "source_role": "ion/additive",
          "source_url": "https://www.rcsb.org/structure/3QKJ",
          "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:3QKJ:LIG:G:SO4:4:.:SITE:UP:Q9UBC3:PWWP1:D": {
          "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",
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          "domain_id": "UP:Q9UBC3:PWWP1",
          "exact_pwwp_contact": true,
          "ligand_instance_id": "PDB:3QKJ:LIG:G:SO4:4:.",
          "observed_other_component": true,
          "pdb_id": "3QKJ",
          "protein_id": "UP:Q9UBC3",
          "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:3QKJ:LIG:G:SO4:4:.:SITE:UP:Q9UBC3:PWWP1:D",
          "source_role": "ion/additive",
          "source_url": "https://www.rcsb.org/structure/3QKJ",
          "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:3QKJ:LIG:I:SO4:5:.:SITE:UP:Q9UBC3:PWWP1:B": {
          "ccd_url": "https://www.rcsb.org/ligand/SO4",
          "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
          "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
          "contact_class": "broader_Pfam_PWWP_contact",
          "coordinate_sha256": "e94a2082f64ba107b7c13187a1af6dc528db6e5340be742ad57500d752199174",
          "domain_id": "UP:Q9UBC3:PWWP1",
          "exact_pwwp_contact": true,
          "ligand_instance_id": "PDB:3QKJ:LIG:I:SO4:5:.",
          "observed_other_component": true,
          "pdb_id": "3QKJ",
          "protein_id": "UP:Q9UBC3",
          "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:3QKJ:LIG:I:SO4:5:.:SITE:UP:Q9UBC3:PWWP1:B",
          "source_role": "ion/additive",
          "source_url": "https://www.rcsb.org/structure/3QKJ",
          "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:3QKJ:LIG:J:SO4:6:.:SITE:UP:Q9UBC3:PWWP1:B": {
          "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",
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          "domain_id": "UP:Q9UBC3:PWWP1",
          "exact_pwwp_contact": true,
          "ligand_instance_id": "PDB:3QKJ:LIG:J:SO4:6:.",
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          "pdb_id": "3QKJ",
          "protein_id": "UP:Q9UBC3",
          "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:3QKJ:LIG:J:SO4:6:.:SITE:UP:Q9UBC3:PWWP1:B",
          "source_role": "ion/additive",
          "source_url": "https://www.rcsb.org/structure/3QKJ",
          "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:3QKJ:LIG:M:SO4:1:.:SITE:UP:Q9UBC3:PWWP1:D": {
          "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",
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          "domain_id": "UP:Q9UBC3:PWWP1",
          "exact_pwwp_contact": true,
          "ligand_instance_id": "PDB:3QKJ:LIG:M:SO4:1:.",
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          "pdb_id": "3QKJ",
          "protein_id": "UP:Q9UBC3",
          "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:3QKJ:LIG:M:SO4:1:.:SITE:UP:Q9UBC3:PWWP1:D",
          "source_role": "ion/additive",
          "source_url": "https://www.rcsb.org/structure/3QKJ",
          "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:3QKJ:LIG:N:SO4:2:.:SITE:UP:Q9UBC3:PWWP1:A": {
          "ccd_url": "https://www.rcsb.org/ligand/SO4",
          "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
          "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
          "contact_class": "broader_Pfam_PWWP_contact",
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          "domain_id": "UP:Q9UBC3:PWWP1",
          "exact_pwwp_contact": true,
          "ligand_instance_id": "PDB:3QKJ:LIG:N:SO4:2:.",
          "observed_other_component": true,
          "pdb_id": "3QKJ",
          "protein_id": "UP:Q9UBC3",
          "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:3QKJ:LIG:N:SO4:2:.:SITE:UP:Q9UBC3:PWWP1:A",
          "source_role": "ion/additive",
          "source_url": "https://www.rcsb.org/structure/3QKJ",
          "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:3QKJ:LIG:N:SO4:2:.:SITE:UP:Q9UBC3:PWWP1:D": {
          "ccd_url": "https://www.rcsb.org/ligand/SO4",
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          "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
          "contact_class": "native_annotation_core_contact",
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          "domain_id": "UP:Q9UBC3:PWWP1",
          "exact_pwwp_contact": true,
          "ligand_instance_id": "PDB:3QKJ:LIG:N:SO4:2:.",
          "observed_other_component": true,
          "pdb_id": "3QKJ",
          "protein_id": "UP:Q9UBC3",
          "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:3QKJ:LIG:N:SO4:2:.:SITE:UP:Q9UBC3:PWWP1:D",
          "source_role": "ion/additive",
          "source_url": "https://www.rcsb.org/structure/3QKJ",
          "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:5NR3:LIG:D:SO4:402:.:SITE:UP:Q9UBC3:PWWP1:A": {
          "ccd_url": "https://www.rcsb.org/ligand/SO4",
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          "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
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          "domain_id": "UP:Q9UBC3:PWWP1",
          "exact_pwwp_contact": true,
          "ligand_instance_id": "PDB:5NR3:LIG:D:SO4:402:.",
          "observed_other_component": true,
          "pdb_id": "5NR3",
          "protein_id": "UP:Q9UBC3",
          "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:5NR3:LIG:D:SO4:402:.:SITE:UP:Q9UBC3:PWWP1:A",
          "source_role": "ion/additive",
          "source_url": "https://www.rcsb.org/structure/5NR3",
          "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:5NR3:LIG:D:SO4:402:.:SITE:UP:Q9UBC3:PWWP1:B": {
          "ccd_url": "https://www.rcsb.org/ligand/SO4",
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          "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
          "contact_class": "broader_Pfam_PWWP_contact",
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          "domain_id": "UP:Q9UBC3:PWWP1",
          "exact_pwwp_contact": true,
          "ligand_instance_id": "PDB:5NR3:LIG:D:SO4:402:.",
          "observed_other_component": true,
          "pdb_id": "5NR3",
          "protein_id": "UP:Q9UBC3",
          "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:5NR3:LIG:D:SO4:402:.:SITE:UP:Q9UBC3:PWWP1:B",
          "source_role": "ion/additive",
          "source_url": "https://www.rcsb.org/structure/5NR3",
          "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:5NR3:LIG:E:SO4:403:.:SITE:UP:Q9UBC3:PWWP1:A": {
          "ccd_url": "https://www.rcsb.org/ligand/SO4",
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          "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
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          "domain_id": "UP:Q9UBC3:PWWP1",
          "exact_pwwp_contact": true,
          "ligand_instance_id": "PDB:5NR3:LIG:E:SO4:403:.",
          "observed_other_component": true,
          "pdb_id": "5NR3",
          "protein_id": "UP:Q9UBC3",
          "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:5NR3:LIG:E:SO4:403:.:SITE:UP:Q9UBC3:PWWP1:A",
          "source_role": "ion/additive",
          "source_url": "https://www.rcsb.org/structure/5NR3",
          "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:5NR3:LIG:F:SO4:404:.:SITE:UP:Q9UBC3:PWWP1:A": {
          "ccd_url": "https://www.rcsb.org/ligand/SO4",
          "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
          "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
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          "domain_id": "UP:Q9UBC3:PWWP1",
          "exact_pwwp_contact": true,
          "ligand_instance_id": "PDB:5NR3:LIG:F:SO4:404:.",
          "observed_other_component": true,
          "pdb_id": "5NR3",
          "protein_id": "UP:Q9UBC3",
          "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:5NR3:LIG:F:SO4:404:.:SITE:UP:Q9UBC3:PWWP1:A",
          "source_role": "ion/additive",
          "source_url": "https://www.rcsb.org/structure/5NR3",
          "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:5NRR:LIG:D:SO4:402:.:SITE:UP:Q9UBC3:PWWP1:A": {
          "ccd_url": "https://www.rcsb.org/ligand/SO4",
          "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
          "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
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          "domain_id": "UP:Q9UBC3:PWWP1",
          "exact_pwwp_contact": true,
          "ligand_instance_id": "PDB:5NRR:LIG:D:SO4:402:.",
          "observed_other_component": true,
          "pdb_id": "5NRR",
          "protein_id": "UP:Q9UBC3",
          "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:5NRR:LIG:D:SO4:402:.:SITE:UP:Q9UBC3:PWWP1:A",
          "source_role": "ion/additive",
          "source_url": "https://www.rcsb.org/structure/5NRR",
          "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:5NRR:LIG:D:SO4:402:.:SITE:UP:Q9UBC3:PWWP1:B": {
          "ccd_url": "https://www.rcsb.org/ligand/SO4",
          "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
          "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
          "contact_class": "broader_Pfam_PWWP_contact",
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          "domain_id": "UP:Q9UBC3:PWWP1",
          "exact_pwwp_contact": true,
          "ligand_instance_id": "PDB:5NRR:LIG:D:SO4:402:.",
          "observed_other_component": true,
          "pdb_id": "5NRR",
          "protein_id": "UP:Q9UBC3",
          "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:5NRR:LIG:D:SO4:402:.:SITE:UP:Q9UBC3:PWWP1:B",
          "source_role": "ion/additive",
          "source_url": "https://www.rcsb.org/structure/5NRR",
          "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:5NRR:LIG:E:SO4:403:.:SITE:UP:Q9UBC3:PWWP1:A": {
          "ccd_url": "https://www.rcsb.org/ligand/SO4",
          "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
          "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
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          "domain_id": "UP:Q9UBC3:PWWP1",
          "exact_pwwp_contact": true,
          "ligand_instance_id": "PDB:5NRR:LIG:E:SO4:403:.",
          "observed_other_component": true,
          "pdb_id": "5NRR",
          "protein_id": "UP:Q9UBC3",
          "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:5NRR:LIG:E:SO4:403:.:SITE:UP:Q9UBC3:PWWP1:A",
          "source_role": "ion/additive",
          "source_url": "https://www.rcsb.org/structure/5NRR",
          "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:5NRR:LIG:F:SO4:404:.:SITE:UP:Q9UBC3:PWWP1:A": {
          "ccd_url": "https://www.rcsb.org/ligand/SO4",
          "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
          "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
          "contact_class": "broader_Pfam_PWWP_contact",
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          "domain_id": "UP:Q9UBC3:PWWP1",
          "exact_pwwp_contact": true,
          "ligand_instance_id": "PDB:5NRR:LIG:F:SO4:404:.",
          "observed_other_component": true,
          "pdb_id": "5NRR",
          "protein_id": "UP:Q9UBC3",
          "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:5NRR:LIG:F:SO4:404:.:SITE:UP:Q9UBC3:PWWP1:A",
          "source_role": "ion/additive",
          "source_url": "https://www.rcsb.org/structure/5NRR",
          "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:5NRR:LIG:H:SO4:402:.:SITE:UP:Q9UBC3:PWWP1:B": {
          "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",
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          "domain_id": "UP:Q9UBC3:PWWP1",
          "exact_pwwp_contact": true,
          "ligand_instance_id": "PDB:5NRR:LIG:H:SO4:402:.",
          "observed_other_component": true,
          "pdb_id": "5NRR",
          "protein_id": "UP:Q9UBC3",
          "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:5NRR:LIG:H:SO4:402:.:SITE:UP:Q9UBC3:PWWP1:B",
          "source_role": "ion/additive",
          "source_url": "https://www.rcsb.org/structure/5NRR",
          "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:5NRR:LIG:I:SO4:403:.:SITE:UP:Q9UBC3:PWWP1:A": {
          "ccd_url": "https://www.rcsb.org/ligand/SO4",
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          "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
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          "domain_id": "UP:Q9UBC3:PWWP1",
          "exact_pwwp_contact": true,
          "ligand_instance_id": "PDB:5NRR:LIG:I:SO4:403:.",
          "observed_other_component": true,
          "pdb_id": "5NRR",
          "protein_id": "UP:Q9UBC3",
          "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:5NRR:LIG:I:SO4:403:.:SITE:UP:Q9UBC3:PWWP1:A",
          "source_role": "ion/additive",
          "source_url": "https://www.rcsb.org/structure/5NRR",
          "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:5NRR:LIG:I:SO4:403:.:SITE:UP:Q9UBC3:PWWP1:B": {
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          "source_role": "ion/additive",
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          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
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        },
        "PDB:5NRS:LIG:C:SO4:401:.:SITE:UP:Q9UBC3:PWWP1:A": {
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          "source_role": "ion/additive",
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          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
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        },
        "PDB:5NRS:LIG:D:SO4:402:.:SITE:UP:Q9UBC3:PWWP1:A": {
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          "source_role": "ion/additive",
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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:5NRS:LIG:D:SO4:402:.:SITE:UP:Q9UBC3:PWWP1:B": {
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          "ligand_instance_id": "PDB:5NRS:LIG:D:SO4:402:.",
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          "source_role": "ion/additive",
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          "structural_research_ligand": false,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
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        },
        "PDB:5NRS:LIG:F:SO4:401:.:SITE:UP:Q9UBC3:PWWP1:A": {
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          "ligand_instance_id": "PDB:5NRS:LIG:F:SO4:401:.",
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          "protein_id": "UP:Q9UBC3",
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          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:5NRS:LIG:F:SO4:401:.:SITE:UP:Q9UBC3:PWWP1:A",
          "source_role": "ion/additive",
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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:5NRS:LIG:F:SO4:401:.:SITE:UP:Q9UBC3:PWWP1:B": {
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          "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
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          "ligand_instance_id": "PDB:5NRS:LIG:F:SO4:401:.",
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          "protein_id": "UP:Q9UBC3",
          "role_code": "ion_or_salt",
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          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:5NRS:LIG:F:SO4:401:.:SITE:UP:Q9UBC3:PWWP1:B",
          "source_role": "ion/additive",
          "source_url": "https://www.rcsb.org/structure/5NRS",
          "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:5NRS:LIG:G:SO4:402:.:SITE:UP:Q9UBC3:PWWP1:B": {
          "ccd_url": "https://www.rcsb.org/ligand/SO4",
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          "ligand_instance_id": "PDB:5NRS:LIG:G:SO4:402:.",
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          "pdb_id": "5NRS",
          "protein_id": "UP:Q9UBC3",
          "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:5NRS:LIG:G:SO4:402:.:SITE:UP:Q9UBC3:PWWP1:B",
          "source_role": "ion/additive",
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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:5NRS:LIG:H:SO4:403:.:SITE:UP:Q9UBC3:PWWP1:B": {
          "ccd_url": "https://www.rcsb.org/ligand/SO4",
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          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
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          "source_role": "ion/additive",
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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:5NRV:LIG:D:SO4:402:.:SITE:UP:Q9UBC3:PWWP1:A": {
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          "ligand_instance_id": "PDB:5NRV:LIG:D:SO4:402:.",
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          "protein_id": "UP:Q9UBC3",
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          "role_group": "other_component",
          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:5NRV:LIG:D:SO4:402:.:SITE:UP:Q9UBC3:PWWP1:A",
          "source_role": "ion/additive",
          "source_url": "https://www.rcsb.org/structure/5NRV",
          "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:5NRV:LIG:E:SO4:403:.:SITE:UP:Q9UBC3:PWWP1:A": {
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          "ligand_instance_id": "PDB:5NRV:LIG:E:SO4:403:.",
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          "pdb_id": "5NRV",
          "protein_id": "UP:Q9UBC3",
          "role_code": "ion_or_salt",
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          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:5NRV:LIG:E:SO4:403:.:SITE:UP:Q9UBC3:PWWP1:A",
          "source_role": "ion/additive",
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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:5NRV:LIG:F:SO4:404:.:SITE:UP:Q9UBC3:PWWP1:A": {
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          "ligand_instance_id": "PDB:5NRV:LIG:F:SO4:404:.",
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          "pdb_id": "5NRV",
          "protein_id": "UP:Q9UBC3",
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          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:5NRV:LIG:F:SO4:404:.:SITE:UP:Q9UBC3:PWWP1:A",
          "source_role": "ion/additive",
          "source_url": "https://www.rcsb.org/structure/5NRV",
          "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:5NRV:LIG:G:SO4:405:.:SITE:UP:Q9UBC3:PWWP1:A": {
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          "ligand_instance_id": "PDB:5NRV:LIG:G:SO4:405:.",
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          "pdb_id": "5NRV",
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          "role_code": "ion_or_salt",
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          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:5NRV:LIG:G:SO4:405:.:SITE:UP:Q9UBC3:PWWP1:A",
          "source_role": "ion/additive",
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          "structural_research_ligand": false,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
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        },
        "PDB:5NRV:LIG:G:SO4:405:.:SITE:UP:Q9UBC3:PWWP1:B": {
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          "ligand_instance_id": "PDB:5NRV:LIG:G:SO4:405:.",
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          "protein_id": "UP:Q9UBC3",
          "role_code": "ion_or_salt",
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          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:5NRV:LIG:G:SO4:405:.:SITE:UP:Q9UBC3:PWWP1:B",
          "source_role": "ion/additive",
          "source_url": "https://www.rcsb.org/structure/5NRV",
          "structural_research_ligand": false,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
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        },
        "PDB:5NRV:LIG:H:SO4:406:.:SITE:UP:Q9UBC3:PWWP1:A": {
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          "ligand_instance_id": "PDB:5NRV:LIG:H:SO4:406:.",
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          "pdb_id": "5NRV",
          "protein_id": "UP:Q9UBC3",
          "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:5NRV:LIG:H:SO4:406:.:SITE:UP:Q9UBC3:PWWP1:A",
          "source_role": "ion/additive",
          "source_url": "https://www.rcsb.org/structure/5NRV",
          "structural_research_ligand": false,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
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        },
        "PDB:5NRV:LIG:I:SO4:407:.:SITE:UP:Q9UBC3:PWWP1:A": {
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          "ligand_instance_id": "PDB:5NRV:LIG:I:SO4:407:.",
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          "protein_id": "UP:Q9UBC3",
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          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:5NRV:LIG:I:SO4:407:.:SITE:UP:Q9UBC3:PWWP1:A",
          "source_role": "ion/additive",
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          "structural_research_ligand": false,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
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        },
        "PDB:5NRV:LIG:I:SO4:407:.:SITE:UP:Q9UBC3:PWWP1:B": {
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          "ligand_instance_id": "PDB:5NRV:LIG:I:SO4:407:.",
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          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
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          "source_role": "ion/additive",
          "source_url": "https://www.rcsb.org/structure/5NRV",
          "structural_research_ligand": false,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
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        "PDB:5NRV:LIG:K:SO4:402:.:SITE:UP:Q9UBC3:PWWP1:B": {
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        "PDB:5NRV:LIG:L:SO4:403:.:SITE:UP:Q9UBC3:PWWP1:B": {
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        },
        "PDB:5NRV:LIG:M:SO4:404:.:SITE:UP:Q9UBC3:PWWP1:A": {
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        },
        "PDB:5NRV:LIG:M:SO4:404:.:SITE:UP:Q9UBC3:PWWP1:B": {
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          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
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        },
        "PDB:5NRV:LIG:N:SO4:405:.:SITE:UP:Q9UBC3:PWWP1:B": {
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          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:5NRV:LIG:N:SO4:405:.:SITE:UP:Q9UBC3:PWWP1:B",
          "source_role": "ion/additive",
          "source_url": "https://www.rcsb.org/structure/5NRV",
          "structural_research_ligand": false,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
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        },
        "PDB:5NV0:LIG:D:SO4:402:.:SITE:UP:Q9UBC3:PWWP1:A": {
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          "ligand_instance_id": "PDB:5NV0:LIG:D:SO4:402:.",
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          "protein_id": "UP:Q9UBC3",
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          "source_role": "ion/additive",
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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:5NV0:LIG:D:SO4:402:.:SITE:UP:Q9UBC3:PWWP1:B": {
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          "source_role": "ion/additive",
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          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
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        },
        "PDB:5NV0:LIG:E:SO4:403:.:SITE:UP:Q9UBC3:PWWP1:A": {
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          "ligand_instance_id": "PDB:5NV0:LIG:E:SO4:403:.",
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          "protein_id": "UP:Q9UBC3",
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          "role_group": "other_component",
          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:5NV0:LIG:E:SO4:403:.:SITE:UP:Q9UBC3:PWWP1:A",
          "source_role": "ion/additive",
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          "structural_research_ligand": false,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
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        },
        "PDB:5NV0:LIG:F:SO4:404:.:SITE:UP:Q9UBC3:PWWP1:A": {
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          "ligand_instance_id": "PDB:5NV0:LIG:F:SO4:404:.",
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          "protein_id": "UP:Q9UBC3",
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          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:5NV0:LIG:F:SO4:404:.:SITE:UP:Q9UBC3:PWWP1:A",
          "source_role": "ion/additive",
          "source_url": "https://www.rcsb.org/structure/5NV0",
          "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:5NV0:LIG:G:SO4:405:.:SITE:UP:Q9UBC3:PWWP1:A": {
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          "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L",
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          "protein_id": "UP:Q9UBC3",
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          "source_role": "ion/additive",
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          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
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        },
        "PDB:5NV0:LIG:G:SO4:405:.:SITE:UP:Q9UBC3:PWWP1:B": {
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          "source_role": "ion/additive",
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          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
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        },
        "PDB:5NV0:LIG:H:SO4:406:.:SITE:UP:Q9UBC3:PWWP1:A": {
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          "ligand_instance_id": "PDB:5NV0:LIG:H:SO4:406:.",
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          "protein_id": "UP:Q9UBC3",
          "role_code": "ion_or_salt",
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          "source_role": "ion/additive",
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          "structural_research_ligand": false,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
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        },
        "PDB:5NV0:LIG:H:SO4:406:.:SITE:UP:Q9UBC3:PWWP1:B": {
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        },
        "PDB:5NV0:LIG:J:SO4:402:.:SITE:UP:Q9UBC3:PWWP1:B": {
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          "protein_id": "UP:Q9UBC3",
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        },
        "PDB:5NV0:LIG:K:SO4:403:.:SITE:UP:Q9UBC3:PWWP1:B": {
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          "protein_id": "UP:Q9UBC3",
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        "PDB:5NV0:LIG:L:SO4:404:.:SITE:UP:Q9UBC3:PWWP1:A": {
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          "protein_id": "UP:Q9UBC3",
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        "PDB:5NV7:LIG:H:SO4:403:.:SITE:UP:Q9UBC3:PWWP1:A": {
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        },
        "PDB:5NV7:LIG:H:SO4:403:.:SITE:UP:Q9UBC3:PWWP1:B": {
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        },
        "PDB:5NV7:LIG:I:SO4:404:.:SITE:UP:Q9UBC3:PWWP1:B": {
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        },
        "PDB:5NVO:LIG:D:SO4:402:.:SITE:UP:Q9UBC3:PWWP1:A": {
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        },
        "PDB:5NVO:LIG:E:SO4:403:.:SITE:UP:Q9UBC3:PWWP1:A": {
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        },
        "PDB:5NVO:LIG:F:SO4:404:.:SITE:UP:Q9UBC3:PWWP1:A": {
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        },
        "PDB:5NVO:LIG:F:SO4:404:.:SITE:UP:Q9UBC3:PWWP1:B": {
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        },
        "PDB:5NVO:LIG:G:SO4:405:.:SITE:UP:Q9UBC3:PWWP1:A": {
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        },
        "PDB:5NVO:LIG:G:SO4:405:.:SITE:UP:Q9UBC3:PWWP1:B": {
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          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
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        },
        "PDB:5NVO:LIG:H:SO4:406:.:SITE:UP:Q9UBC3:PWWP1:A": {
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        },
        "PDB:5NVO:LIG:H:SO4:406:.:SITE:UP:Q9UBC3:PWWP1:B": {
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        "PDB:5NVO:LIG:I:SO4:407:.:SITE:UP:Q9UBC3:PWWP1:A": {
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        "PDB:5NVO:LIG:K:SO4:402:.:SITE:UP:Q9UBC3:PWWP1:A": {
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        "PDB:5NVO:LIG:K:SO4:402:.:SITE:UP:Q9UBC3:PWWP1:B": {
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        "PDB:5NVO:LIG:L:SO4:403:.:SITE:UP:Q9UBC3:PWWP1:B": {
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        "PDB:6R3E:LIG:F:SO4:504:.:SITE:UP:Q9UBC3:PWWP1:A": {
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        "PDB:6R3E:LIG:F:SO4:504:.:SITE:UP:Q9UBC3:PWWP1:B": {
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        "PDB:6R3E:LIG:G:SO4:501:.:SITE:UP:Q9UBC3:PWWP1:B": {
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      "science_assay_roles": {},
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  ]
}