{
  "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": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N",
    "protein": "",
    "domain": "",
    "bound": "",
    "pdb": "",
    "identity": "",
    "role": "",
    "method": "",
    "endpoint": "",
    "relation": "",
    "potency_min": "",
    "potency_max": "",
    "source": "",
    "year": "",
    "organism": "",
    "construct": "",
    "status": "",
    "missing": "",
    "scope": "all_components",
    "view": "gallery",
    "sort": ""
  },
  "compounds": [
    {
      "aliases": [
        "4-cyano-N-cyclopropyl-N-[(thiophen-2-yl)methyl]benzamide",
        "MR837 (3f)"
      ],
      "assay_count": 2,
      "associated_pdb_ids": [
        "6UE6"
      ],
      "bound_structure_count": 1,
      "category": "Bioactivity + bound structure",
      "chemical_id": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N",
      "classifications": [],
      "compound_id": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N",
      "curation_version": "phase5-1.0.0",
      "depiction": {
        "calculated_HBA": 3,
        "calculated_HBD": 0,
        "calculated_TPSA": 44.1,
        "calculated_formula": "C16H14N2OS",
        "calculated_logP": 3.4246,
        "calculated_molecular_weight": 282.368,
        "computed_inchikey": "WYAGGMZTARRIDX-UHFFFAOYSA-N",
        "descriptor_scope": "RDKit calculation for the source identity; not an experimental measurement",
        "files": {
          "dark": "d8edcb12d1ae7d5281d1-dark.svg",
          "light": "d8edcb12d1ae7d5281d1-light.svg"
        },
        "rdkit_version": "2025.09.3",
        "status": "verified_smiles_full_inchikey_match"
      },
      "development_status": "Not independently curated",
      "domain_ids": [
        "UP:O96028:PWWP1"
      ],
      "entity_kind": "chemical_identity",
      "genes": [
        "NSD2"
      ],
      "has_bioactivity_only": false,
      "has_source_conflict": false,
      "identity": {
        "aliases": [
          "4-cyano-N-cyclopropyl-N-[(thiophen-2-yl)methyl]benzamide"
        ],
        "ccd_ids": [
          "Q5D"
        ],
        "ccd_names": "[\"4-cyano-N-cyclopropyl-N-[(thiophen-2-yl)methyl]benzamide\"]",
        "ccd_types": "[\"non-polymer\"]",
        "chemical_id": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N",
        "connectivity_block": "WYAGGMZTARRIDX",
        "curated_source_sha256": null,
        "curation_version": "frozen-v1.2",
        "external_identifiers": {},
        "formal_charge_by_ccd": "{\"Q5D\": 0}",
        "formulae": "[\"C16 H14 N2 O S\"]",
        "geometry_note": "CCD ideal SDF is a reference chemical geometry, not a deposited bound pose.",
        "identity_status": "complete_deposited_InChIKey",
        "inchikey": "WYAGGMZTARRIDX-UHFFFAOYSA-N",
        "inventory_origin": "v1_CCD_inventory",
        "isomeric_smiles": "c1cc(sc1)CN(C2CC2)C(=O)c3ccc(cc3)C#N",
        "primary_name": "4-cyano-N-cyclopropyl-N-[(thiophen-2-yl)methyl]benzamide",
        "retrieval_date": "2026-10-24",
        "smiles_stereo_by_ccd": "{\"Q5D\": \"c1cc(sc1)CN(C2CC2)C(=O)c3ccc(cc3)C#N\"}",
        "source_metadata_sha256": "{\"Q5D\": \"cd79b90f28f534ca0857c5ed8c356a210b6f4b6820c4df810482c24f0db6f57e\"}",
        "source_urls": [
          "https://www.rcsb.org/ligand/Q5D"
        ]
      },
      "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": 2,
      "name": "MR837 (3f)",
      "negative_count": 0,
      "observation_ids": [
        "PWWP:ASSAY:0001",
        "PWWP:ASSAY:0002"
      ],
      "pdb_structure_count": 1,
      "preparation_count": 1,
      "preparation_ids": [
        "PREP:MR837"
      ],
      "protein_ids": [
        "UP:O96028"
      ],
      "relationships": [],
      "relevant": true,
      "search_text": "mr837 (3f) inchikey:wyaggmztarridx-uhfffaoysa-n 4-cyano-n-cyclopropyl-n-[(thiophen-2-yl)methyl]benzamide mr837 (3f) nsd2 up:o96028:pwwp1 6ue6 {\"aliases\":[\"4-cyano-n-cyclopropyl-n-[(thiophen-2-yl)methyl]benzamide\"],\"ccd_ids\":[\"q5d\"],\"ccd_names\":\"[\\\"4-cyano-n-cyclopropyl-n-[(thiophen-2-yl)methyl]benzamide\\\"]\",\"ccd_types\":\"[\\\"non-polymer\\\"]\",\"chemical_id\":\"inchikey:wyaggmztarridx-uhfffaoysa-n\",\"connectivity_block\":\"wyaggmztarridx\",\"curated_source_sha256\":null,\"curation_version\":\"frozen-v1.2\",\"external_identifiers\":{},\"formal_charge_by_ccd\":\"{\\\"q5d\\\": 0}\",\"formulae\":\"[\\\"c16 h14 n2 o s\\\"]\",\"geometry_note\":\"ccd ideal sdf is a reference chemical geometry, not a deposited bound pose.\",\"identity_status\":\"complete_deposited_inchikey\",\"inchikey\":\"wyaggmztarridx-uhfffaoysa-n\",\"inventory_origin\":\"v1_ccd_inventory\",\"isomeric_smiles\":\"c1cc(sc1)cn(c2cc2)c(=o)c3ccc(cc3)c#n\",\"primary_name\":\"4-cyano-n-cyclopropyl-n-[(thiophen-2-yl)methyl]benzamide\",\"retrieval_date\":\"2026-10-24\",\"smiles_stereo_by_ccd\":\"{\\\"q5d\\\": \\\"c1cc(sc1)cn(c2cc2)c(=o)c3ccc(cc3)c#n\\\"}\",\"source_metadata_sha256\":\"{\\\"q5d\\\": \\\"cd79b90f28f534ca0857c5ed8c356a210b6f4b6820c4df810482c24f0db6f57e\\\"}\",\"source_urls\":[\"https://www.rcsb.org/ligand/q5d\"]} pmid:33522809 2021 https://pmc.ncbi.nlm.nih.gov/articles/pmc8130708/ pmid:33522809 2021 https://pmc.ncbi.nlm.nih.gov/articles/pmc8130708/",
      "source_urls": [
        "https://pmc.ncbi.nlm.nih.gov/articles/PMC8130708/",
        "https://www.rcsb.org/ligand/Q5D"
      ],
      "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:0001",
          "assay_type": "SPR Kd",
          "assay_value_transferred_to_modeled_stereoisomers": 0,
          "audit_decision": "retain_with_explicit_endpoint_and_identity",
          "baseline_assay_record": 1,
          "buffer": null,
          "ccd_id": "Q5D",
          "ccd_mapping_source": "Provenance/Literature/ligand_ccd_associations.json",
          "chemical_id": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N",
          "chemical_identity_status": "exact_single_CCD_identity",
          "component_context": null,
          "compound_id": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N",
          "compound_name": "MR837 (3f)",
          "conditions": "{}",
          "crystallographic_component_ids": null,
          "curation_version": "frozen-v1.2",
          "domain": "PWWP1",
          "domain_id": "UP:O96028:PWWP1",
          "endpoint": "Kd",
          "endpoint_label_status": null,
          "evidence_class": "direct_binding_affinity",
          "evidence_location": "Results; Figure 2",
          "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC8130708/",
          "gene": "NSD2",
          "interpretation": "Distinct condition from the lower-DMSO SPR measurement; do not average.",
          "is_measured": true,
          "is_negative": false,
          "method": "SPR",
          "molecular_entity_type": "small_molecule_preparation",
          "normalized_exact_uM": 7.0,
          "numeric_transcription_status": "matches_primary_report",
          "numeric_value_inferred_from_structure": 0,
          "organism": "Homo sapiens",
          "pH": null,
          "pdb_id": "6UE6",
          "preparation_id": "PREP:MR837",
          "protein_id": "UP:O96028",
          "publication_year": 2021,
          "qualitative_result": null,
          "reference_id": "PMID:33522809",
          "remaining_uncertainty": "Full assay buffer, temperature and incubation metadata not transcribed; null means uncurated, not absent.",
          "replicates": null,
          "role": "experimentally_studied_ligand",
          "source_component_url": null,
          "source_database": "Primary literature (frozen Atlas)",
          "source_id": "S01",
          "source_measurement_key": "c836db439e09abccf4ee113af0c254beb168b73493a47ef4b57f21499a0c6459",
          "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:0001",
            "assay_type": "SPR Kd",
            "assay_value_transferred_to_modeled_stereoisomers": 0,
            "audit_decision": "retain_with_explicit_endpoint_and_identity",
            "baseline_assay_record": 1,
            "buffer": null,
            "ccd_id": "Q5D",
            "ccd_mapping_source": "Provenance/Literature/ligand_ccd_associations.json",
            "chemical_id": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N",
            "chemical_identity_status": "exact_single_CCD_identity",
            "component_context": null,
            "compound_name": "MR837 (3f)",
            "conditions": "{}",
            "crystallographic_component_ids": null,
            "domain": "PWWP1",
            "domain_id": "UP:O96028:PWWP1",
            "endpoint_label_status": null,
            "evidence_class": "direct_binding_affinity",
            "evidence_location": "Results; Figure 2",
            "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC8130708/",
            "gene": "NSD2",
            "interpretation": "Distinct condition from the lower-DMSO SPR measurement; do not average.",
            "molecular_entity_type": "small_molecule_preparation",
            "numeric_transcription_status": "matches_primary_report",
            "numeric_value_inferred_from_structure": 0,
            "pH": null,
            "pdb_id": "6UE6",
            "preparation_id": "PREP:MR837",
            "protein_id": "UP:O96028",
            "qualitative_result": null,
            "reference_id": "PMID:33522809",
            "remaining_uncertainty": "Full assay buffer, temperature and incubation metadata not transcribed; null means uncurated, not absent.",
            "replicates": null,
            "role": "experimentally_studied_ligand",
            "source_component_url": null,
            "source_id": "S01",
            "source_reported_uncertainty": "3",
            "source_reported_units": "µM",
            "source_reported_value": "7",
            "source_verification_scope": "primary_article_selected_indexed_full_text_passages; original figures and supplement not independently opened",
            "temperature_C": null,
            "uncertainty": 3.0,
            "uncertainty_type": null,
            "uncertainty_uM": 3.0,
            "unit_conversion": null,
            "units": "µM",
            "value": 7.0,
            "value_operator": "=",
            "value_uM": 7.0,
            "verification_level": "primary_full_text_sections_verified"
          },
          "source_reported_uncertainty": "3",
          "source_reported_units": "µM",
          "source_reported_value": "7",
          "source_verification_scope": "primary_article_selected_indexed_full_text_passages; original figures and supplement not independently opened",
          "target_scope": "domain_specific",
          "temperature_C": null,
          "uncertainty": 3.0,
          "uncertainty_type": null,
          "uncertainty_uM": 3.0,
          "unit_conversion": null,
          "units": "µM",
          "value": 7.0,
          "value_operator": "=",
          "value_uM": 7.0,
          "verification_level": "primary_full_text_sections_verified"
        },
        {
          "DMSO_percent": 0.5,
          "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:0002",
          "assay_type": "SPR Kd",
          "assay_value_transferred_to_modeled_stereoisomers": 0,
          "audit_decision": "retain_with_explicit_endpoint_and_identity",
          "baseline_assay_record": 1,
          "buffer": null,
          "ccd_id": "Q5D",
          "ccd_mapping_source": "Provenance/Literature/ligand_ccd_associations.json",
          "chemical_id": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N",
          "chemical_identity_status": "exact_single_CCD_identity",
          "component_context": null,
          "compound_id": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N",
          "compound_name": "MR837 (3f)",
          "conditions": "{\"DMSO_percent\": 0.5}",
          "crystallographic_component_ids": null,
          "curation_version": "frozen-v1.2",
          "domain": "PWWP1",
          "domain_id": "UP:O96028:PWWP1",
          "endpoint": "Kd",
          "endpoint_label_status": null,
          "evidence_class": "direct_binding_affinity",
          "evidence_location": "Results; Figure S6",
          "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC8130708/",
          "gene": "NSD2",
          "interpretation": "Lower-DMSO measurement; preserve assay conditions.",
          "is_measured": true,
          "is_negative": false,
          "method": "SPR",
          "molecular_entity_type": "small_molecule_preparation",
          "normalized_exact_uM": 3.4,
          "numeric_transcription_status": "matches_primary_report",
          "numeric_value_inferred_from_structure": 0,
          "organism": "Homo sapiens",
          "pH": null,
          "pdb_id": "6UE6",
          "preparation_id": "PREP:MR837",
          "protein_id": "UP:O96028",
          "publication_year": 2021,
          "qualitative_result": null,
          "reference_id": "PMID:33522809",
          "remaining_uncertainty": "Full assay buffer, temperature and incubation metadata not transcribed; null means uncurated, not absent.",
          "replicates": null,
          "role": "experimentally_studied_ligand",
          "source_component_url": null,
          "source_database": "Primary literature (frozen Atlas)",
          "source_id": "S01",
          "source_measurement_key": "435ca0c0d4b52ed142745eb1d6af7181325f0c136e7e674d5c103857af8a8209",
          "source_original": {
            "DMSO_percent": 0.5,
            "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:0002",
            "assay_type": "SPR Kd",
            "assay_value_transferred_to_modeled_stereoisomers": 0,
            "audit_decision": "retain_with_explicit_endpoint_and_identity",
            "baseline_assay_record": 1,
            "buffer": null,
            "ccd_id": "Q5D",
            "ccd_mapping_source": "Provenance/Literature/ligand_ccd_associations.json",
            "chemical_id": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N",
            "chemical_identity_status": "exact_single_CCD_identity",
            "component_context": null,
            "compound_name": "MR837 (3f)",
            "conditions": "{\"DMSO_percent\": 0.5}",
            "crystallographic_component_ids": null,
            "domain": "PWWP1",
            "domain_id": "UP:O96028:PWWP1",
            "endpoint_label_status": null,
            "evidence_class": "direct_binding_affinity",
            "evidence_location": "Results; Figure S6",
            "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC8130708/",
            "gene": "NSD2",
            "interpretation": "Lower-DMSO measurement; preserve assay conditions.",
            "molecular_entity_type": "small_molecule_preparation",
            "numeric_transcription_status": "matches_primary_report",
            "numeric_value_inferred_from_structure": 0,
            "pH": null,
            "pdb_id": "6UE6",
            "preparation_id": "PREP:MR837",
            "protein_id": "UP:O96028",
            "qualitative_result": null,
            "reference_id": "PMID:33522809",
            "remaining_uncertainty": "Full assay buffer, temperature and incubation metadata not transcribed; null means uncurated, not absent.",
            "replicates": null,
            "role": "experimentally_studied_ligand",
            "source_component_url": null,
            "source_id": "S01",
            "source_reported_uncertainty": "0.4",
            "source_reported_units": "µM",
            "source_reported_value": "3.4",
            "source_verification_scope": "primary_article_selected_indexed_full_text_passages; original figures and supplement not independently opened",
            "temperature_C": null,
            "uncertainty": 0.4,
            "uncertainty_type": null,
            "uncertainty_uM": 0.4,
            "unit_conversion": null,
            "units": "µM",
            "value": 3.4,
            "value_operator": "=",
            "value_uM": 3.4,
            "verification_level": "primary_full_text_sections_verified"
          },
          "source_reported_uncertainty": "0.4",
          "source_reported_units": "µM",
          "source_reported_value": "3.4",
          "source_verification_scope": "primary_article_selected_indexed_full_text_passages; original figures and supplement not independently opened",
          "target_scope": "domain_specific",
          "temperature_C": null,
          "uncertainty": 0.4,
          "uncertainty_type": null,
          "uncertainty_uM": 0.4,
          "unit_conversion": null,
          "units": "µM",
          "value": 3.4,
          "value_operator": "=",
          "value_uM": 3.4,
          "verification_level": "primary_full_text_sections_verified"
        }
      ],
      "context_structures": [
        {
          "Pfam_contacts_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 21, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.8526, \"uniprot_position\": 230}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 24, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.2827, \"uniprot_position\": 233}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"236\", \"component\": \"TRP\", \"entity_position\": 27, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.4998, \"uniprot_position\": 236}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"266\", \"component\": \"PHE\", \"entity_position\": 57, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.6128, \"uniprot_position\": 266}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"267\", \"component\": \"PHE\", \"entity_position\": 58, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.9228, \"uniprot_position\": 267}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"268\", \"component\": \"GLY\", \"entity_position\": 59, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.3617, \"uniprot_position\": 268}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.4855, \"uniprot_position\": 269}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"270\", \"component\": \"ALA\", \"entity_position\": 61, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.0676, \"uniprot_position\": 270}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"271\", \"component\": \"PRO\", \"entity_position\": 62, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.3937, \"uniprot_position\": 271}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 63, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.385, \"uniprot_position\": 272}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 64, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.6703, \"uniprot_position\": 273}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"274\", \"component\": \"ALA\", \"entity_position\": 65, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.7606, \"uniprot_position\": 274}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"318\", \"component\": \"LEU\", \"entity_position\": 109, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.187, \"uniprot_position\": 318}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 112, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.5718, \"uniprot_position\": 321}]",
          "biochemical_activity_inferred": 0,
          "ccd_id": "Q5D",
          "chain_contacts_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 21, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.8526, \"uniprot_position\": 230}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 24, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.2827, \"uniprot_position\": 233}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"236\", \"component\": \"TRP\", \"entity_position\": 27, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.4998, \"uniprot_position\": 236}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"266\", \"component\": \"PHE\", \"entity_position\": 57, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.6128, \"uniprot_position\": 266}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"267\", \"component\": \"PHE\", \"entity_position\": 58, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.9228, \"uniprot_position\": 267}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"268\", \"component\": \"GLY\", \"entity_position\": 59, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.3617, \"uniprot_position\": 268}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.4855, \"uniprot_position\": 269}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"270\", \"component\": \"ALA\", \"entity_position\": 61, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.0676, \"uniprot_position\": 270}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"271\", \"component\": \"PRO\", \"entity_position\": 62, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.3937, \"uniprot_position\": 271}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 63, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.385, \"uniprot_position\": 272}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 64, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.6703, \"uniprot_position\": 273}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"274\", \"component\": \"ALA\", \"entity_position\": 65, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.7606, \"uniprot_position\": 274}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"318\", \"component\": \"LEU\", \"entity_position\": 109, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.187, \"uniprot_position\": 318}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 112, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.5718, \"uniprot_position\": 321}]",
          "chain_id": "PDB:6UE6:CHAIN:C:UP:O96028",
          "chemical_id": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N",
          "contact_class": "native_annotation_core_contact",
          "contact_distance_rank": 1,
          "core_contacts_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 21, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.8526, \"uniprot_position\": 230}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 24, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.2827, \"uniprot_position\": 233}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"236\", \"component\": \"TRP\", \"entity_position\": 27, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.4998, \"uniprot_position\": 236}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"266\", \"component\": \"PHE\", \"entity_position\": 57, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.6128, \"uniprot_position\": 266}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"267\", \"component\": \"PHE\", \"entity_position\": 58, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.9228, \"uniprot_position\": 267}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"268\", \"component\": \"GLY\", \"entity_position\": 59, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.3617, \"uniprot_position\": 268}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.4855, \"uniprot_position\": 269}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"270\", \"component\": \"ALA\", \"entity_position\": 61, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.0676, \"uniprot_position\": 270}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"271\", \"component\": \"PRO\", \"entity_position\": 62, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.3937, \"uniprot_position\": 271}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 63, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.385, \"uniprot_position\": 272}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 64, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.6703, \"uniprot_position\": 273}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"274\", \"component\": \"ALA\", \"entity_position\": 65, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.7606, \"uniprot_position\": 274}]",
          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:O96028:PWWP1",
          "exact_pwwp_contact": true,
          "gene": "NSD2",
          "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": "2001",
            "ccd_id": "Q5D",
            "chemical_id": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N",
            "component_context": "nonpolymer_component",
            "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"C\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}, {\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"D\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]",
            "covalent_connection_ids": "[]",
            "heavy_atom_row_count": 20,
            "ideal_CCD_SDF_is_source_pose": 0,
            "label_asym_id": "EA",
            "label_seq_id": null,
            "ligand_instance_id": "PDB:6UE6:LIG:EA:Q5D:2001:.",
            "nearest_polypeptide_distance_angstrom": 3.0676,
            "nearest_polypeptide_label_asym_id": "C",
            "occupancy_max": 1.0,
            "occupancy_min": 1.0,
            "pdb_id": "6UE6",
            "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 21, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.8526, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 24, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.2827, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"236\", \"component\": \"TRP\", \"entity_position\": 27, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.4998, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"266\", \"component\": \"PHE\", \"entity_position\": 57, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.6128, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"267\", \"component\": \"PHE\", \"entity_position\": 58, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.9228, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"268\", \"component\": \"GLY\", \"entity_position\": 59, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.3617, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.4855, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"270\", \"component\": \"ALA\", \"entity_position\": 61, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.0676, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"271\", \"component\": \"PRO\", \"entity_position\": 62, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.3937, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 63, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.385, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 64, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.6703, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"274\", \"component\": \"ALA\", \"entity_position\": 65, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.7606, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"318\", \"component\": \"LEU\", \"entity_position\": 109, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.187, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 112, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.5718, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.7243, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"317\", \"component\": \"LYS\", \"entity_position\": 108, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.6194, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"320\", \"component\": \"ALA\", \"entity_position\": 111, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.5858, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 112, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.2125, \"uniprot_position\": null}]",
            "pose_kind": "deposited_source_coordinates",
            "reference_model": "1",
            "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Co-Crystals/6UE6/original.cif",
            "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27",
            "unique_heavy_atom_names": 20
          },
          "ligand_instance_id": "PDB:6UE6:LIG:EA:Q5D:2001:.",
          "ligand_label_asym_id": "EA",
          "minimum_Pfam_distance_angstrom": 3.0676,
          "minimum_chain_distance_angstrom": 3.0676,
          "minimum_core_distance_angstrom": 3.0676,
          "multiple_contacting_mapped_chains": 1,
          "pdb_id": "6UE6",
          "protein_id": "UP:O96028",
          "protein_label_asym_id": "C",
          "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.",
          "role": "experimentally studied ligand",
          "role_category": "functional",
          "site_id": "PDB:6UE6:LIG:EA:Q5D:2001:.:SITE:UP:O96028:PWWP1:C",
          "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27"
        },
        {
          "Pfam_contacts_5A": "[{\"auth_asym_id\": \"D\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.7243, \"uniprot_position\": 269}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"317\", \"component\": \"LYS\", \"entity_position\": 108, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.6194, \"uniprot_position\": 317}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"320\", \"component\": \"ALA\", \"entity_position\": 111, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.5858, \"uniprot_position\": 320}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 112, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.2125, \"uniprot_position\": 321}]",
          "biochemical_activity_inferred": 0,
          "ccd_id": "Q5D",
          "chain_contacts_5A": "[{\"auth_asym_id\": \"D\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.7243, \"uniprot_position\": 269}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"317\", \"component\": \"LYS\", \"entity_position\": 108, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.6194, \"uniprot_position\": 317}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"320\", \"component\": \"ALA\", \"entity_position\": 111, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.5858, \"uniprot_position\": 320}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 112, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.2125, \"uniprot_position\": 321}]",
          "chain_id": "PDB:6UE6:CHAIN:D:UP:O96028",
          "chemical_id": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N",
          "contact_class": "native_annotation_core_contact",
          "contact_distance_rank": 2,
          "core_contacts_5A": "[{\"auth_asym_id\": \"D\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.7243, \"uniprot_position\": 269}]",
          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:O96028:PWWP1",
          "exact_pwwp_contact": true,
          "gene": "NSD2",
          "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": "2001",
            "ccd_id": "Q5D",
            "chemical_id": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N",
            "component_context": "nonpolymer_component",
            "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"C\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}, {\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"D\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]",
            "covalent_connection_ids": "[]",
            "heavy_atom_row_count": 20,
            "ideal_CCD_SDF_is_source_pose": 0,
            "label_asym_id": "EA",
            "label_seq_id": null,
            "ligand_instance_id": "PDB:6UE6:LIG:EA:Q5D:2001:.",
            "nearest_polypeptide_distance_angstrom": 3.0676,
            "nearest_polypeptide_label_asym_id": "C",
            "occupancy_max": 1.0,
            "occupancy_min": 1.0,
            "pdb_id": "6UE6",
            "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 21, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.8526, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 24, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.2827, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"236\", \"component\": \"TRP\", \"entity_position\": 27, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.4998, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"266\", \"component\": \"PHE\", \"entity_position\": 57, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.6128, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"267\", \"component\": \"PHE\", \"entity_position\": 58, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.9228, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"268\", \"component\": \"GLY\", \"entity_position\": 59, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.3617, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.4855, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"270\", \"component\": \"ALA\", \"entity_position\": 61, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.0676, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"271\", \"component\": \"PRO\", \"entity_position\": 62, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.3937, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 63, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.385, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 64, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.6703, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"274\", \"component\": \"ALA\", \"entity_position\": 65, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.7606, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"318\", \"component\": \"LEU\", \"entity_position\": 109, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.187, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 112, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.5718, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.7243, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"317\", \"component\": \"LYS\", \"entity_position\": 108, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.6194, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"320\", \"component\": \"ALA\", \"entity_position\": 111, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.5858, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 112, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.2125, \"uniprot_position\": null}]",
            "pose_kind": "deposited_source_coordinates",
            "reference_model": "1",
            "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Co-Crystals/6UE6/original.cif",
            "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27",
            "unique_heavy_atom_names": 20
          },
          "ligand_instance_id": "PDB:6UE6:LIG:EA:Q5D:2001:.",
          "ligand_label_asym_id": "EA",
          "minimum_Pfam_distance_angstrom": 3.5858,
          "minimum_chain_distance_angstrom": 3.5858,
          "minimum_core_distance_angstrom": 3.7243,
          "multiple_contacting_mapped_chains": 1,
          "pdb_id": "6UE6",
          "protein_id": "UP:O96028",
          "protein_label_asym_id": "D",
          "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.",
          "role": "experimentally studied ligand",
          "role_category": "functional",
          "site_id": "PDB:6UE6:LIG:EA:Q5D:2001:.:SITE:UP:O96028:PWWP1:D",
          "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27"
        },
        {
          "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 21, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8525, \"uniprot_position\": 230}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 24, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3265, \"uniprot_position\": 233}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"236\", \"component\": \"TRP\", \"entity_position\": 27, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4673, \"uniprot_position\": 236}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"266\", \"component\": \"PHE\", \"entity_position\": 57, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6022, \"uniprot_position\": 266}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"267\", \"component\": \"PHE\", \"entity_position\": 58, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8765, \"uniprot_position\": 267}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"268\", \"component\": \"GLY\", \"entity_position\": 59, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3529, \"uniprot_position\": 268}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4882, \"uniprot_position\": 269}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"270\", \"component\": \"ALA\", \"entity_position\": 61, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.0594, \"uniprot_position\": 270}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"271\", \"component\": \"PRO\", \"entity_position\": 62, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.3412, \"uniprot_position\": 271}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 63, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3701, \"uniprot_position\": 272}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 64, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6259, \"uniprot_position\": 273}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"274\", \"component\": \"ALA\", \"entity_position\": 65, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8773, \"uniprot_position\": 274}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"318\", \"component\": \"LEU\", \"entity_position\": 109, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.1883, \"uniprot_position\": 318}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 112, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4979, \"uniprot_position\": 321}]",
          "biochemical_activity_inferred": 0,
          "ccd_id": "Q5D",
          "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 21, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8525, \"uniprot_position\": 230}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 24, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3265, \"uniprot_position\": 233}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"236\", \"component\": \"TRP\", \"entity_position\": 27, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4673, \"uniprot_position\": 236}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"266\", \"component\": \"PHE\", \"entity_position\": 57, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6022, \"uniprot_position\": 266}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"267\", \"component\": \"PHE\", \"entity_position\": 58, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8765, \"uniprot_position\": 267}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"268\", \"component\": \"GLY\", \"entity_position\": 59, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3529, \"uniprot_position\": 268}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4882, \"uniprot_position\": 269}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"270\", \"component\": \"ALA\", \"entity_position\": 61, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.0594, \"uniprot_position\": 270}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"271\", \"component\": \"PRO\", \"entity_position\": 62, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.3412, \"uniprot_position\": 271}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 63, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3701, \"uniprot_position\": 272}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 64, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6259, \"uniprot_position\": 273}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"274\", \"component\": \"ALA\", \"entity_position\": 65, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8773, \"uniprot_position\": 274}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"318\", \"component\": \"LEU\", \"entity_position\": 109, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.1883, \"uniprot_position\": 318}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 112, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4979, \"uniprot_position\": 321}]",
          "chain_id": "PDB:6UE6:CHAIN:A:UP:O96028",
          "chemical_id": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N",
          "contact_class": "native_annotation_core_contact",
          "contact_distance_rank": 1,
          "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 21, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8525, \"uniprot_position\": 230}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 24, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3265, \"uniprot_position\": 233}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"236\", \"component\": \"TRP\", \"entity_position\": 27, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4673, \"uniprot_position\": 236}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"266\", \"component\": \"PHE\", \"entity_position\": 57, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6022, \"uniprot_position\": 266}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"267\", \"component\": \"PHE\", \"entity_position\": 58, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8765, \"uniprot_position\": 267}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"268\", \"component\": \"GLY\", \"entity_position\": 59, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3529, \"uniprot_position\": 268}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4882, \"uniprot_position\": 269}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"270\", \"component\": \"ALA\", \"entity_position\": 61, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.0594, \"uniprot_position\": 270}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"271\", \"component\": \"PRO\", \"entity_position\": 62, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.3412, \"uniprot_position\": 271}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 63, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3701, \"uniprot_position\": 272}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 64, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6259, \"uniprot_position\": 273}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"274\", \"component\": \"ALA\", \"entity_position\": 65, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8773, \"uniprot_position\": 274}]",
          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:O96028:PWWP1",
          "exact_pwwp_contact": true,
          "gene": "NSD2",
          "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": "2001",
            "ccd_id": "Q5D",
            "chemical_id": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N",
            "component_context": "nonpolymer_component",
            "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}, {\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]",
            "covalent_connection_ids": "[]",
            "heavy_atom_row_count": 20,
            "ideal_CCD_SDF_is_source_pose": 0,
            "label_asym_id": "I",
            "label_seq_id": null,
            "ligand_instance_id": "PDB:6UE6:LIG:I:Q5D:2001:.",
            "nearest_polypeptide_distance_angstrom": 3.0594,
            "nearest_polypeptide_label_asym_id": "A",
            "occupancy_max": 1.0,
            "occupancy_min": 1.0,
            "pdb_id": "6UE6",
            "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 21, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8525, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 24, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3265, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"236\", \"component\": \"TRP\", \"entity_position\": 27, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4673, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"266\", \"component\": \"PHE\", \"entity_position\": 57, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6022, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"267\", \"component\": \"PHE\", \"entity_position\": 58, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8765, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"268\", \"component\": \"GLY\", \"entity_position\": 59, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3529, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4882, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"270\", \"component\": \"ALA\", \"entity_position\": 61, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.0594, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"271\", \"component\": \"PRO\", \"entity_position\": 62, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.3412, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 63, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3701, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 64, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6259, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"274\", \"component\": \"ALA\", \"entity_position\": 65, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8773, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"318\", \"component\": \"LEU\", \"entity_position\": 109, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.1883, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 112, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4979, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.6933, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"317\", \"component\": \"LYS\", \"entity_position\": 108, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.6306, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"320\", \"component\": \"ALA\", \"entity_position\": 111, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.7279, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 112, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.2535, \"uniprot_position\": null}]",
            "pose_kind": "deposited_source_coordinates",
            "reference_model": "1",
            "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Co-Crystals/6UE6/original.cif",
            "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27",
            "unique_heavy_atom_names": 20
          },
          "ligand_instance_id": "PDB:6UE6:LIG:I:Q5D:2001:.",
          "ligand_label_asym_id": "I",
          "minimum_Pfam_distance_angstrom": 3.0594,
          "minimum_chain_distance_angstrom": 3.0594,
          "minimum_core_distance_angstrom": 3.0594,
          "multiple_contacting_mapped_chains": 1,
          "pdb_id": "6UE6",
          "protein_id": "UP:O96028",
          "protein_label_asym_id": "A",
          "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.",
          "role": "experimentally studied ligand",
          "role_category": "functional",
          "site_id": "PDB:6UE6:LIG:I:Q5D:2001:.:SITE:UP:O96028:PWWP1:A",
          "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27"
        },
        {
          "Pfam_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.6933, \"uniprot_position\": 269}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"317\", \"component\": \"LYS\", \"entity_position\": 108, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.6306, \"uniprot_position\": 317}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"320\", \"component\": \"ALA\", \"entity_position\": 111, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.7279, \"uniprot_position\": 320}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 112, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.2535, \"uniprot_position\": 321}]",
          "biochemical_activity_inferred": 0,
          "ccd_id": "Q5D",
          "chain_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.6933, \"uniprot_position\": 269}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"317\", \"component\": \"LYS\", \"entity_position\": 108, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.6306, \"uniprot_position\": 317}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"320\", \"component\": \"ALA\", \"entity_position\": 111, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.7279, \"uniprot_position\": 320}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 112, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.2535, \"uniprot_position\": 321}]",
          "chain_id": "PDB:6UE6:CHAIN:B:UP:O96028",
          "chemical_id": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N",
          "contact_class": "native_annotation_core_contact",
          "contact_distance_rank": 2,
          "core_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.6933, \"uniprot_position\": 269}]",
          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:O96028:PWWP1",
          "exact_pwwp_contact": true,
          "gene": "NSD2",
          "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": "2001",
            "ccd_id": "Q5D",
            "chemical_id": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N",
            "component_context": "nonpolymer_component",
            "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}, {\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]",
            "covalent_connection_ids": "[]",
            "heavy_atom_row_count": 20,
            "ideal_CCD_SDF_is_source_pose": 0,
            "label_asym_id": "I",
            "label_seq_id": null,
            "ligand_instance_id": "PDB:6UE6:LIG:I:Q5D:2001:.",
            "nearest_polypeptide_distance_angstrom": 3.0594,
            "nearest_polypeptide_label_asym_id": "A",
            "occupancy_max": 1.0,
            "occupancy_min": 1.0,
            "pdb_id": "6UE6",
            "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 21, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8525, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 24, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3265, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"236\", \"component\": \"TRP\", \"entity_position\": 27, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4673, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"266\", \"component\": \"PHE\", \"entity_position\": 57, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6022, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"267\", \"component\": \"PHE\", \"entity_position\": 58, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8765, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"268\", \"component\": \"GLY\", \"entity_position\": 59, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3529, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4882, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"270\", \"component\": \"ALA\", \"entity_position\": 61, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.0594, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"271\", \"component\": \"PRO\", \"entity_position\": 62, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.3412, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 63, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3701, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 64, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6259, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"274\", \"component\": \"ALA\", \"entity_position\": 65, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8773, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"318\", \"component\": \"LEU\", \"entity_position\": 109, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.1883, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 112, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4979, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.6933, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"317\", \"component\": \"LYS\", \"entity_position\": 108, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.6306, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"320\", \"component\": \"ALA\", \"entity_position\": 111, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.7279, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 112, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.2535, \"uniprot_position\": null}]",
            "pose_kind": "deposited_source_coordinates",
            "reference_model": "1",
            "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Co-Crystals/6UE6/original.cif",
            "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27",
            "unique_heavy_atom_names": 20
          },
          "ligand_instance_id": "PDB:6UE6:LIG:I:Q5D:2001:.",
          "ligand_label_asym_id": "I",
          "minimum_Pfam_distance_angstrom": 3.6306,
          "minimum_chain_distance_angstrom": 3.6306,
          "minimum_core_distance_angstrom": 3.6933,
          "multiple_contacting_mapped_chains": 1,
          "pdb_id": "6UE6",
          "protein_id": "UP:O96028",
          "protein_label_asym_id": "B",
          "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.",
          "role": "experimentally studied ligand",
          "role_category": "functional",
          "site_id": "PDB:6UE6:LIG:I:Q5D:2001:.:SITE:UP:O96028:PWWP1:B",
          "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27"
        },
        {
          "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.1759, \"uniprot_position\": 269}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"316\", \"component\": \"GLY\", \"entity_position\": 107, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.6752, \"uniprot_position\": 316}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"317\", \"component\": \"LYS\", \"entity_position\": 108, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5776, \"uniprot_position\": 317}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"320\", \"component\": \"ALA\", \"entity_position\": 111, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3717, \"uniprot_position\": 320}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 112, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.3124, \"uniprot_position\": 321}]",
          "biochemical_activity_inferred": 0,
          "ccd_id": "Q5D",
          "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.1759, \"uniprot_position\": 269}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"316\", \"component\": \"GLY\", \"entity_position\": 107, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.6752, \"uniprot_position\": 316}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"317\", \"component\": \"LYS\", \"entity_position\": 108, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5776, \"uniprot_position\": 317}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"320\", \"component\": \"ALA\", \"entity_position\": 111, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3717, \"uniprot_position\": 320}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 112, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.3124, \"uniprot_position\": 321}]",
          "chain_id": "PDB:6UE6:CHAIN:A:UP:O96028",
          "chemical_id": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N",
          "contact_class": "native_annotation_core_contact",
          "contact_distance_rank": 2,
          "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.1759, \"uniprot_position\": 269}]",
          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:O96028:PWWP1",
          "exact_pwwp_contact": true,
          "gene": "NSD2",
          "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": "2001",
            "ccd_id": "Q5D",
            "chemical_id": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N",
            "component_context": "nonpolymer_component",
            "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}, {\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"D\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]",
            "covalent_connection_ids": "[]",
            "heavy_atom_row_count": 20,
            "ideal_CCD_SDF_is_source_pose": 0,
            "label_asym_id": "KA",
            "label_seq_id": null,
            "ligand_instance_id": "PDB:6UE6:LIG:KA:Q5D:2001:.",
            "nearest_polypeptide_distance_angstrom": 3.0472,
            "nearest_polypeptide_label_asym_id": "D",
            "occupancy_max": 1.0,
            "occupancy_min": 1.0,
            "pdb_id": "6UE6",
            "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.1759, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"316\", \"component\": \"GLY\", \"entity_position\": 107, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.6752, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"317\", \"component\": \"LYS\", \"entity_position\": 108, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5776, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"320\", \"component\": \"ALA\", \"entity_position\": 111, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3717, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 112, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.3124, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 21, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.7027, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 24, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.2952, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"236\", \"component\": \"TRP\", \"entity_position\": 27, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.5632, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"266\", \"component\": \"PHE\", \"entity_position\": 57, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.5197, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"267\", \"component\": \"PHE\", \"entity_position\": 58, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.8774, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"268\", \"component\": \"GLY\", \"entity_position\": 59, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.3695, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.4937, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"270\", \"component\": \"ALA\", \"entity_position\": 61, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.0472, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"271\", \"component\": \"PRO\", \"entity_position\": 62, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.3579, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 63, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.3683, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 64, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.6251, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"274\", \"component\": \"ALA\", \"entity_position\": 65, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.7733, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"318\", \"component\": \"LEU\", \"entity_position\": 109, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.2314, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 112, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.487, \"uniprot_position\": null}]",
            "pose_kind": "deposited_source_coordinates",
            "reference_model": "1",
            "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Co-Crystals/6UE6/original.cif",
            "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27",
            "unique_heavy_atom_names": 20
          },
          "ligand_instance_id": "PDB:6UE6:LIG:KA:Q5D:2001:.",
          "ligand_label_asym_id": "KA",
          "minimum_Pfam_distance_angstrom": 3.3717,
          "minimum_chain_distance_angstrom": 3.3717,
          "minimum_core_distance_angstrom": 4.1759,
          "multiple_contacting_mapped_chains": 1,
          "pdb_id": "6UE6",
          "protein_id": "UP:O96028",
          "protein_label_asym_id": "A",
          "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.",
          "role": "experimentally studied ligand",
          "role_category": "functional",
          "site_id": "PDB:6UE6:LIG:KA:Q5D:2001:.:SITE:UP:O96028:PWWP1:A",
          "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27"
        },
        {
          "Pfam_contacts_5A": "[{\"auth_asym_id\": \"D\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 21, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.7027, \"uniprot_position\": 230}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 24, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.2952, \"uniprot_position\": 233}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"236\", \"component\": \"TRP\", \"entity_position\": 27, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.5632, \"uniprot_position\": 236}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"266\", \"component\": \"PHE\", \"entity_position\": 57, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.5197, \"uniprot_position\": 266}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"267\", \"component\": \"PHE\", \"entity_position\": 58, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.8774, \"uniprot_position\": 267}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"268\", \"component\": \"GLY\", \"entity_position\": 59, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.3695, \"uniprot_position\": 268}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.4937, \"uniprot_position\": 269}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"270\", \"component\": \"ALA\", \"entity_position\": 61, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.0472, \"uniprot_position\": 270}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"271\", \"component\": \"PRO\", \"entity_position\": 62, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.3579, \"uniprot_position\": 271}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 63, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.3683, \"uniprot_position\": 272}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 64, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.6251, \"uniprot_position\": 273}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"274\", \"component\": \"ALA\", \"entity_position\": 65, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.7733, \"uniprot_position\": 274}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"318\", \"component\": \"LEU\", \"entity_position\": 109, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.2314, \"uniprot_position\": 318}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 112, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.487, \"uniprot_position\": 321}]",
          "biochemical_activity_inferred": 0,
          "ccd_id": "Q5D",
          "chain_contacts_5A": "[{\"auth_asym_id\": \"D\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 21, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.7027, \"uniprot_position\": 230}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 24, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.2952, \"uniprot_position\": 233}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"236\", \"component\": \"TRP\", \"entity_position\": 27, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.5632, \"uniprot_position\": 236}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"266\", \"component\": \"PHE\", \"entity_position\": 57, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.5197, \"uniprot_position\": 266}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"267\", \"component\": \"PHE\", \"entity_position\": 58, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.8774, \"uniprot_position\": 267}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"268\", \"component\": \"GLY\", \"entity_position\": 59, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.3695, \"uniprot_position\": 268}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.4937, \"uniprot_position\": 269}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"270\", \"component\": \"ALA\", \"entity_position\": 61, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.0472, \"uniprot_position\": 270}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"271\", \"component\": \"PRO\", \"entity_position\": 62, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.3579, \"uniprot_position\": 271}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 63, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.3683, \"uniprot_position\": 272}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 64, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.6251, \"uniprot_position\": 273}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"274\", \"component\": \"ALA\", \"entity_position\": 65, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.7733, \"uniprot_position\": 274}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"318\", \"component\": \"LEU\", \"entity_position\": 109, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.2314, \"uniprot_position\": 318}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 112, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.487, \"uniprot_position\": 321}]",
          "chain_id": "PDB:6UE6:CHAIN:D:UP:O96028",
          "chemical_id": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N",
          "contact_class": "native_annotation_core_contact",
          "contact_distance_rank": 1,
          "core_contacts_5A": "[{\"auth_asym_id\": \"D\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 21, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.7027, \"uniprot_position\": 230}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 24, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.2952, \"uniprot_position\": 233}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"236\", \"component\": \"TRP\", \"entity_position\": 27, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.5632, \"uniprot_position\": 236}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"266\", \"component\": \"PHE\", \"entity_position\": 57, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.5197, \"uniprot_position\": 266}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"267\", \"component\": \"PHE\", \"entity_position\": 58, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.8774, \"uniprot_position\": 267}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"268\", \"component\": \"GLY\", \"entity_position\": 59, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.3695, \"uniprot_position\": 268}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.4937, \"uniprot_position\": 269}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"270\", \"component\": \"ALA\", \"entity_position\": 61, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.0472, \"uniprot_position\": 270}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"271\", \"component\": \"PRO\", \"entity_position\": 62, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.3579, \"uniprot_position\": 271}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 63, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.3683, \"uniprot_position\": 272}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 64, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.6251, \"uniprot_position\": 273}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"274\", \"component\": \"ALA\", \"entity_position\": 65, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.7733, \"uniprot_position\": 274}]",
          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:O96028:PWWP1",
          "exact_pwwp_contact": true,
          "gene": "NSD2",
          "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": "2001",
            "ccd_id": "Q5D",
            "chemical_id": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N",
            "component_context": "nonpolymer_component",
            "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}, {\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"D\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]",
            "covalent_connection_ids": "[]",
            "heavy_atom_row_count": 20,
            "ideal_CCD_SDF_is_source_pose": 0,
            "label_asym_id": "KA",
            "label_seq_id": null,
            "ligand_instance_id": "PDB:6UE6:LIG:KA:Q5D:2001:.",
            "nearest_polypeptide_distance_angstrom": 3.0472,
            "nearest_polypeptide_label_asym_id": "D",
            "occupancy_max": 1.0,
            "occupancy_min": 1.0,
            "pdb_id": "6UE6",
            "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.1759, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"316\", \"component\": \"GLY\", \"entity_position\": 107, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.6752, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"317\", \"component\": \"LYS\", \"entity_position\": 108, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5776, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"320\", \"component\": \"ALA\", \"entity_position\": 111, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3717, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 112, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.3124, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 21, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.7027, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 24, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.2952, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"236\", \"component\": \"TRP\", \"entity_position\": 27, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.5632, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"266\", \"component\": \"PHE\", \"entity_position\": 57, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.5197, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"267\", \"component\": \"PHE\", \"entity_position\": 58, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.8774, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"268\", \"component\": \"GLY\", \"entity_position\": 59, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.3695, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.4937, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"270\", \"component\": \"ALA\", \"entity_position\": 61, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.0472, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"271\", \"component\": \"PRO\", \"entity_position\": 62, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.3579, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 63, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.3683, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 64, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.6251, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"274\", \"component\": \"ALA\", \"entity_position\": 65, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.7733, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"318\", \"component\": \"LEU\", \"entity_position\": 109, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.2314, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 112, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.487, \"uniprot_position\": null}]",
            "pose_kind": "deposited_source_coordinates",
            "reference_model": "1",
            "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Co-Crystals/6UE6/original.cif",
            "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27",
            "unique_heavy_atom_names": 20
          },
          "ligand_instance_id": "PDB:6UE6:LIG:KA:Q5D:2001:.",
          "ligand_label_asym_id": "KA",
          "minimum_Pfam_distance_angstrom": 3.0472,
          "minimum_chain_distance_angstrom": 3.0472,
          "minimum_core_distance_angstrom": 3.0472,
          "multiple_contacting_mapped_chains": 1,
          "pdb_id": "6UE6",
          "protein_id": "UP:O96028",
          "protein_label_asym_id": "D",
          "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.",
          "role": "experimentally studied ligand",
          "role_category": "functional",
          "site_id": "PDB:6UE6:LIG:KA:Q5D:2001:.:SITE:UP:O96028:PWWP1:D",
          "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27"
        },
        {
          "Pfam_contacts_5A": "[{\"auth_asym_id\": \"E\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.8076, \"uniprot_position\": 269}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"316\", \"component\": \"GLY\", \"entity_position\": 107, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.9647, \"uniprot_position\": 316}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"317\", \"component\": \"LYS\", \"entity_position\": 108, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.5858, \"uniprot_position\": 317}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"320\", \"component\": \"ALA\", \"entity_position\": 111, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.5141, \"uniprot_position\": 320}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 112, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.2323, \"uniprot_position\": 321}]",
          "biochemical_activity_inferred": 0,
          "ccd_id": "Q5D",
          "chain_contacts_5A": "[{\"auth_asym_id\": \"E\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.8076, \"uniprot_position\": 269}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"316\", \"component\": \"GLY\", \"entity_position\": 107, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.9647, \"uniprot_position\": 316}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"317\", \"component\": \"LYS\", \"entity_position\": 108, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.5858, \"uniprot_position\": 317}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"320\", \"component\": \"ALA\", \"entity_position\": 111, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.5141, \"uniprot_position\": 320}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 112, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.2323, \"uniprot_position\": 321}]",
          "chain_id": "PDB:6UE6:CHAIN:E:UP:O96028",
          "chemical_id": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N",
          "contact_class": "native_annotation_core_contact",
          "contact_distance_rank": 2,
          "core_contacts_5A": "[{\"auth_asym_id\": \"E\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.8076, \"uniprot_position\": 269}]",
          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:O96028:PWWP1",
          "exact_pwwp_contact": true,
          "gene": "NSD2",
          "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion",
          "instance": {
            "alternate_locations": "[]",
            "auth_asym_ids": "[\"H\"]",
            "auth_seq_id": "2001",
            "ccd_id": "Q5D",
            "chemical_id": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N",
            "component_context": "nonpolymer_component",
            "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"E\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}, {\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"H\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]",
            "covalent_connection_ids": "[]",
            "heavy_atom_row_count": 20,
            "ideal_CCD_SDF_is_source_pose": 0,
            "label_asym_id": "LB",
            "label_seq_id": null,
            "ligand_instance_id": "PDB:6UE6:LIG:LB:Q5D:2001:.",
            "nearest_polypeptide_distance_angstrom": 3.0433,
            "nearest_polypeptide_label_asym_id": "H",
            "occupancy_max": 1.0,
            "occupancy_min": 1.0,
            "pdb_id": "6UE6",
            "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"E\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.8076, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"316\", \"component\": \"GLY\", \"entity_position\": 107, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.9647, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"317\", \"component\": \"LYS\", \"entity_position\": 108, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.5858, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"320\", \"component\": \"ALA\", \"entity_position\": 111, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.5141, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 112, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.2323, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 21, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.8456, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 24, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.3158, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"236\", \"component\": \"TRP\", \"entity_position\": 27, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.4806, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"266\", \"component\": \"PHE\", \"entity_position\": 57, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.5957, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"267\", \"component\": \"PHE\", \"entity_position\": 58, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.8755, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"268\", \"component\": \"GLY\", \"entity_position\": 59, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.3335, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.465, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"270\", \"component\": \"ALA\", \"entity_position\": 61, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.0433, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"271\", \"component\": \"PRO\", \"entity_position\": 62, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 4.367, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 63, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.364, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 64, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.6013, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"274\", \"component\": \"ALA\", \"entity_position\": 65, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.819, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 112, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.4815, \"uniprot_position\": null}]",
            "pose_kind": "deposited_source_coordinates",
            "reference_model": "1",
            "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Co-Crystals/6UE6/original.cif",
            "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27",
            "unique_heavy_atom_names": 20
          },
          "ligand_instance_id": "PDB:6UE6:LIG:LB:Q5D:2001:.",
          "ligand_label_asym_id": "LB",
          "minimum_Pfam_distance_angstrom": 3.5141,
          "minimum_chain_distance_angstrom": 3.5141,
          "minimum_core_distance_angstrom": 3.8076,
          "multiple_contacting_mapped_chains": 1,
          "pdb_id": "6UE6",
          "protein_id": "UP:O96028",
          "protein_label_asym_id": "E",
          "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.",
          "role": "experimentally studied ligand",
          "role_category": "functional",
          "site_id": "PDB:6UE6:LIG:LB:Q5D:2001:.:SITE:UP:O96028:PWWP1:E",
          "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27"
        },
        {
          "Pfam_contacts_5A": "[{\"auth_asym_id\": \"H\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 21, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.8456, \"uniprot_position\": 230}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 24, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.3158, \"uniprot_position\": 233}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"236\", \"component\": \"TRP\", \"entity_position\": 27, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.4806, \"uniprot_position\": 236}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"266\", \"component\": \"PHE\", \"entity_position\": 57, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.5957, \"uniprot_position\": 266}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"267\", \"component\": \"PHE\", \"entity_position\": 58, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.8755, \"uniprot_position\": 267}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"268\", \"component\": \"GLY\", \"entity_position\": 59, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.3335, \"uniprot_position\": 268}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.465, \"uniprot_position\": 269}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"270\", \"component\": \"ALA\", \"entity_position\": 61, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.0433, \"uniprot_position\": 270}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"271\", \"component\": \"PRO\", \"entity_position\": 62, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 4.367, \"uniprot_position\": 271}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 63, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.364, \"uniprot_position\": 272}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 64, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.6013, \"uniprot_position\": 273}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"274\", \"component\": \"ALA\", \"entity_position\": 65, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.819, \"uniprot_position\": 274}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 112, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.4815, \"uniprot_position\": 321}]",
          "biochemical_activity_inferred": 0,
          "ccd_id": "Q5D",
          "chain_contacts_5A": "[{\"auth_asym_id\": \"H\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 21, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.8456, \"uniprot_position\": 230}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 24, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.3158, \"uniprot_position\": 233}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"236\", \"component\": \"TRP\", \"entity_position\": 27, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.4806, \"uniprot_position\": 236}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"266\", \"component\": \"PHE\", \"entity_position\": 57, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.5957, \"uniprot_position\": 266}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"267\", \"component\": \"PHE\", \"entity_position\": 58, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.8755, \"uniprot_position\": 267}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"268\", \"component\": \"GLY\", \"entity_position\": 59, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.3335, \"uniprot_position\": 268}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.465, \"uniprot_position\": 269}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"270\", \"component\": \"ALA\", \"entity_position\": 61, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.0433, \"uniprot_position\": 270}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"271\", \"component\": \"PRO\", \"entity_position\": 62, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 4.367, \"uniprot_position\": 271}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 63, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.364, \"uniprot_position\": 272}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 64, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.6013, \"uniprot_position\": 273}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"274\", \"component\": \"ALA\", \"entity_position\": 65, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.819, \"uniprot_position\": 274}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 112, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.4815, \"uniprot_position\": 321}]",
          "chain_id": "PDB:6UE6:CHAIN:H:UP:O96028",
          "chemical_id": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N",
          "contact_class": "native_annotation_core_contact",
          "contact_distance_rank": 1,
          "core_contacts_5A": "[{\"auth_asym_id\": \"H\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 21, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.8456, \"uniprot_position\": 230}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 24, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.3158, \"uniprot_position\": 233}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"236\", \"component\": \"TRP\", \"entity_position\": 27, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.4806, \"uniprot_position\": 236}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"266\", \"component\": \"PHE\", \"entity_position\": 57, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.5957, \"uniprot_position\": 266}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"267\", \"component\": \"PHE\", \"entity_position\": 58, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.8755, \"uniprot_position\": 267}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"268\", \"component\": \"GLY\", \"entity_position\": 59, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.3335, \"uniprot_position\": 268}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.465, \"uniprot_position\": 269}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"270\", \"component\": \"ALA\", \"entity_position\": 61, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.0433, \"uniprot_position\": 270}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"271\", \"component\": \"PRO\", \"entity_position\": 62, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 4.367, \"uniprot_position\": 271}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 63, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.364, \"uniprot_position\": 272}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 64, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.6013, \"uniprot_position\": 273}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"274\", \"component\": \"ALA\", \"entity_position\": 65, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.819, \"uniprot_position\": 274}]",
          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:O96028:PWWP1",
          "exact_pwwp_contact": true,
          "gene": "NSD2",
          "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion",
          "instance": {
            "alternate_locations": "[]",
            "auth_asym_ids": "[\"H\"]",
            "auth_seq_id": "2001",
            "ccd_id": "Q5D",
            "chemical_id": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N",
            "component_context": "nonpolymer_component",
            "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"E\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}, {\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"H\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]",
            "covalent_connection_ids": "[]",
            "heavy_atom_row_count": 20,
            "ideal_CCD_SDF_is_source_pose": 0,
            "label_asym_id": "LB",
            "label_seq_id": null,
            "ligand_instance_id": "PDB:6UE6:LIG:LB:Q5D:2001:.",
            "nearest_polypeptide_distance_angstrom": 3.0433,
            "nearest_polypeptide_label_asym_id": "H",
            "occupancy_max": 1.0,
            "occupancy_min": 1.0,
            "pdb_id": "6UE6",
            "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"E\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.8076, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"316\", \"component\": \"GLY\", \"entity_position\": 107, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.9647, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"317\", \"component\": \"LYS\", \"entity_position\": 108, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.5858, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"320\", \"component\": \"ALA\", \"entity_position\": 111, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.5141, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 112, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.2323, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 21, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.8456, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 24, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.3158, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"236\", \"component\": \"TRP\", \"entity_position\": 27, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.4806, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"266\", \"component\": \"PHE\", \"entity_position\": 57, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.5957, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"267\", \"component\": \"PHE\", \"entity_position\": 58, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.8755, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"268\", \"component\": \"GLY\", \"entity_position\": 59, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.3335, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.465, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"270\", \"component\": \"ALA\", \"entity_position\": 61, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.0433, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"271\", \"component\": \"PRO\", \"entity_position\": 62, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 4.367, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 63, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.364, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 64, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.6013, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"274\", \"component\": \"ALA\", \"entity_position\": 65, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.819, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 112, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.4815, \"uniprot_position\": null}]",
            "pose_kind": "deposited_source_coordinates",
            "reference_model": "1",
            "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Co-Crystals/6UE6/original.cif",
            "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27",
            "unique_heavy_atom_names": 20
          },
          "ligand_instance_id": "PDB:6UE6:LIG:LB:Q5D:2001:.",
          "ligand_label_asym_id": "LB",
          "minimum_Pfam_distance_angstrom": 3.0433,
          "minimum_chain_distance_angstrom": 3.0433,
          "minimum_core_distance_angstrom": 3.0433,
          "multiple_contacting_mapped_chains": 1,
          "pdb_id": "6UE6",
          "protein_id": "UP:O96028",
          "protein_label_asym_id": "H",
          "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.",
          "role": "experimentally studied ligand",
          "role_category": "functional",
          "site_id": "PDB:6UE6:LIG:LB:Q5D:2001:.:SITE:UP:O96028:PWWP1:H",
          "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27"
        },
        {
          "Pfam_contacts_5A": "[{\"auth_asym_id\": \"E\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 21, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.853, \"uniprot_position\": 230}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 24, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.2909, \"uniprot_position\": 233}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"236\", \"component\": \"TRP\", \"entity_position\": 27, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.4961, \"uniprot_position\": 236}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"266\", \"component\": \"PHE\", \"entity_position\": 57, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.6318, \"uniprot_position\": 266}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"267\", \"component\": \"PHE\", \"entity_position\": 58, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.8951, \"uniprot_position\": 267}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"268\", \"component\": \"GLY\", \"entity_position\": 59, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.3535, \"uniprot_position\": 268}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.4682, \"uniprot_position\": 269}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"270\", \"component\": \"ALA\", \"entity_position\": 61, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.0334, \"uniprot_position\": 270}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"271\", \"component\": \"PRO\", \"entity_position\": 62, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.3552, \"uniprot_position\": 271}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 63, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.3482, \"uniprot_position\": 272}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 64, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.6266, \"uniprot_position\": 273}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"274\", \"component\": \"ALA\", \"entity_position\": 65, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.902, \"uniprot_position\": 274}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 112, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.536, \"uniprot_position\": 321}]",
          "biochemical_activity_inferred": 0,
          "ccd_id": "Q5D",
          "chain_contacts_5A": "[{\"auth_asym_id\": \"E\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 21, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.853, \"uniprot_position\": 230}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 24, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.2909, \"uniprot_position\": 233}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"236\", \"component\": \"TRP\", \"entity_position\": 27, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.4961, \"uniprot_position\": 236}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"266\", \"component\": \"PHE\", \"entity_position\": 57, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.6318, \"uniprot_position\": 266}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"267\", \"component\": \"PHE\", \"entity_position\": 58, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.8951, \"uniprot_position\": 267}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"268\", \"component\": \"GLY\", \"entity_position\": 59, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.3535, \"uniprot_position\": 268}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.4682, \"uniprot_position\": 269}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"270\", \"component\": \"ALA\", \"entity_position\": 61, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.0334, \"uniprot_position\": 270}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"271\", \"component\": \"PRO\", \"entity_position\": 62, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.3552, \"uniprot_position\": 271}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 63, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.3482, \"uniprot_position\": 272}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 64, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.6266, \"uniprot_position\": 273}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"274\", \"component\": \"ALA\", \"entity_position\": 65, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.902, \"uniprot_position\": 274}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 112, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.536, \"uniprot_position\": 321}]",
          "chain_id": "PDB:6UE6:CHAIN:E:UP:O96028",
          "chemical_id": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N",
          "contact_class": "native_annotation_core_contact",
          "contact_distance_rank": 1,
          "core_contacts_5A": "[{\"auth_asym_id\": \"E\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 21, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.853, \"uniprot_position\": 230}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 24, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.2909, \"uniprot_position\": 233}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"236\", \"component\": \"TRP\", \"entity_position\": 27, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.4961, \"uniprot_position\": 236}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"266\", \"component\": \"PHE\", \"entity_position\": 57, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.6318, \"uniprot_position\": 266}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"267\", \"component\": \"PHE\", \"entity_position\": 58, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.8951, \"uniprot_position\": 267}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"268\", \"component\": \"GLY\", \"entity_position\": 59, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.3535, \"uniprot_position\": 268}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.4682, \"uniprot_position\": 269}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"270\", \"component\": \"ALA\", \"entity_position\": 61, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.0334, \"uniprot_position\": 270}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"271\", \"component\": \"PRO\", \"entity_position\": 62, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.3552, \"uniprot_position\": 271}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 63, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.3482, \"uniprot_position\": 272}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 64, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.6266, \"uniprot_position\": 273}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"274\", \"component\": \"ALA\", \"entity_position\": 65, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.902, \"uniprot_position\": 274}]",
          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:O96028:PWWP1",
          "exact_pwwp_contact": true,
          "gene": "NSD2",
          "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion",
          "instance": {
            "alternate_locations": "[]",
            "auth_asym_ids": "[\"E\"]",
            "auth_seq_id": "2001",
            "ccd_id": "Q5D",
            "chemical_id": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N",
            "component_context": "nonpolymer_component",
            "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"E\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}, {\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"F\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]",
            "covalent_connection_ids": "[]",
            "heavy_atom_row_count": 20,
            "ideal_CCD_SDF_is_source_pose": 0,
            "label_asym_id": "OA",
            "label_seq_id": null,
            "ligand_instance_id": "PDB:6UE6:LIG:OA:Q5D:2001:.",
            "nearest_polypeptide_distance_angstrom": 3.0334,
            "nearest_polypeptide_label_asym_id": "E",
            "occupancy_max": 1.0,
            "occupancy_min": 1.0,
            "pdb_id": "6UE6",
            "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"E\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 21, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.853, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 24, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.2909, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"236\", \"component\": \"TRP\", \"entity_position\": 27, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.4961, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"266\", \"component\": \"PHE\", \"entity_position\": 57, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.6318, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"267\", \"component\": \"PHE\", \"entity_position\": 58, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.8951, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"268\", \"component\": \"GLY\", \"entity_position\": 59, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.3535, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.4682, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"270\", \"component\": \"ALA\", \"entity_position\": 61, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.0334, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"271\", \"component\": \"PRO\", \"entity_position\": 62, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.3552, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 63, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.3482, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 64, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.6266, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"274\", \"component\": \"ALA\", \"entity_position\": 65, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.902, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 112, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.536, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.6958, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"316\", \"component\": \"GLY\", \"entity_position\": 107, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.9223, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"317\", \"component\": \"LYS\", \"entity_position\": 108, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.4339, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"320\", \"component\": \"ALA\", \"entity_position\": 111, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.4302, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 112, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.2241, \"uniprot_position\": null}]",
            "pose_kind": "deposited_source_coordinates",
            "reference_model": "1",
            "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Co-Crystals/6UE6/original.cif",
            "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27",
            "unique_heavy_atom_names": 20
          },
          "ligand_instance_id": "PDB:6UE6:LIG:OA:Q5D:2001:.",
          "ligand_label_asym_id": "OA",
          "minimum_Pfam_distance_angstrom": 3.0334,
          "minimum_chain_distance_angstrom": 3.0334,
          "minimum_core_distance_angstrom": 3.0334,
          "multiple_contacting_mapped_chains": 1,
          "pdb_id": "6UE6",
          "protein_id": "UP:O96028",
          "protein_label_asym_id": "E",
          "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.",
          "role": "experimentally studied ligand",
          "role_category": "functional",
          "site_id": "PDB:6UE6:LIG:OA:Q5D:2001:.:SITE:UP:O96028:PWWP1:E",
          "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27"
        },
        {
          "Pfam_contacts_5A": "[{\"auth_asym_id\": \"F\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.6958, \"uniprot_position\": 269}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"316\", \"component\": \"GLY\", \"entity_position\": 107, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.9223, \"uniprot_position\": 316}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"317\", \"component\": \"LYS\", \"entity_position\": 108, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.4339, \"uniprot_position\": 317}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"320\", \"component\": \"ALA\", \"entity_position\": 111, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.4302, \"uniprot_position\": 320}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 112, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.2241, \"uniprot_position\": 321}]",
          "biochemical_activity_inferred": 0,
          "ccd_id": "Q5D",
          "chain_contacts_5A": "[{\"auth_asym_id\": \"F\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.6958, \"uniprot_position\": 269}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"316\", \"component\": \"GLY\", \"entity_position\": 107, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.9223, \"uniprot_position\": 316}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"317\", \"component\": \"LYS\", \"entity_position\": 108, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.4339, \"uniprot_position\": 317}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"320\", \"component\": \"ALA\", \"entity_position\": 111, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.4302, \"uniprot_position\": 320}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 112, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.2241, \"uniprot_position\": 321}]",
          "chain_id": "PDB:6UE6:CHAIN:F:UP:O96028",
          "chemical_id": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N",
          "contact_class": "native_annotation_core_contact",
          "contact_distance_rank": 2,
          "core_contacts_5A": "[{\"auth_asym_id\": \"F\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.6958, \"uniprot_position\": 269}]",
          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:O96028:PWWP1",
          "exact_pwwp_contact": true,
          "gene": "NSD2",
          "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion",
          "instance": {
            "alternate_locations": "[]",
            "auth_asym_ids": "[\"E\"]",
            "auth_seq_id": "2001",
            "ccd_id": "Q5D",
            "chemical_id": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N",
            "component_context": "nonpolymer_component",
            "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"E\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}, {\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"F\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]",
            "covalent_connection_ids": "[]",
            "heavy_atom_row_count": 20,
            "ideal_CCD_SDF_is_source_pose": 0,
            "label_asym_id": "OA",
            "label_seq_id": null,
            "ligand_instance_id": "PDB:6UE6:LIG:OA:Q5D:2001:.",
            "nearest_polypeptide_distance_angstrom": 3.0334,
            "nearest_polypeptide_label_asym_id": "E",
            "occupancy_max": 1.0,
            "occupancy_min": 1.0,
            "pdb_id": "6UE6",
            "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"E\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 21, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.853, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 24, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.2909, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"236\", \"component\": \"TRP\", \"entity_position\": 27, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.4961, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"266\", \"component\": \"PHE\", \"entity_position\": 57, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.6318, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"267\", \"component\": \"PHE\", \"entity_position\": 58, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.8951, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"268\", \"component\": \"GLY\", \"entity_position\": 59, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.3535, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.4682, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"270\", \"component\": \"ALA\", \"entity_position\": 61, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.0334, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"271\", \"component\": \"PRO\", \"entity_position\": 62, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.3552, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 63, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.3482, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 64, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.6266, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"274\", \"component\": \"ALA\", \"entity_position\": 65, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.902, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 112, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.536, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.6958, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"316\", \"component\": \"GLY\", \"entity_position\": 107, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.9223, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"317\", \"component\": \"LYS\", \"entity_position\": 108, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.4339, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"320\", \"component\": \"ALA\", \"entity_position\": 111, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.4302, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 112, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.2241, \"uniprot_position\": null}]",
            "pose_kind": "deposited_source_coordinates",
            "reference_model": "1",
            "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Co-Crystals/6UE6/original.cif",
            "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27",
            "unique_heavy_atom_names": 20
          },
          "ligand_instance_id": "PDB:6UE6:LIG:OA:Q5D:2001:.",
          "ligand_label_asym_id": "OA",
          "minimum_Pfam_distance_angstrom": 3.4302,
          "minimum_chain_distance_angstrom": 3.4302,
          "minimum_core_distance_angstrom": 3.6958,
          "multiple_contacting_mapped_chains": 1,
          "pdb_id": "6UE6",
          "protein_id": "UP:O96028",
          "protein_label_asym_id": "F",
          "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.",
          "role": "experimentally studied ligand",
          "role_category": "functional",
          "site_id": "PDB:6UE6:LIG:OA:Q5D:2001:.:SITE:UP:O96028:PWWP1:F",
          "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27"
        },
        {
          "Pfam_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 21, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.8535, \"uniprot_position\": 230}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 24, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.3241, \"uniprot_position\": 233}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"236\", \"component\": \"TRP\", \"entity_position\": 27, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.487, \"uniprot_position\": 236}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"266\", \"component\": \"PHE\", \"entity_position\": 57, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.6095, \"uniprot_position\": 266}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"267\", \"component\": \"PHE\", \"entity_position\": 58, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.9101, \"uniprot_position\": 267}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"268\", \"component\": \"GLY\", \"entity_position\": 59, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.365, \"uniprot_position\": 268}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.4913, \"uniprot_position\": 269}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"270\", \"component\": \"ALA\", \"entity_position\": 61, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.0146, \"uniprot_position\": 270}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"271\", \"component\": \"PRO\", \"entity_position\": 62, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.3643, \"uniprot_position\": 271}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 63, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.364, \"uniprot_position\": 272}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 64, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.5933, \"uniprot_position\": 273}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"274\", \"component\": \"ALA\", \"entity_position\": 65, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.7723, \"uniprot_position\": 274}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"318\", \"component\": \"LEU\", \"entity_position\": 109, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.1735, \"uniprot_position\": 318}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 112, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.4623, \"uniprot_position\": 321}]",
          "biochemical_activity_inferred": 0,
          "ccd_id": "Q5D",
          "chain_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 21, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.8535, \"uniprot_position\": 230}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 24, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.3241, \"uniprot_position\": 233}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"236\", \"component\": \"TRP\", \"entity_position\": 27, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.487, \"uniprot_position\": 236}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"266\", \"component\": \"PHE\", \"entity_position\": 57, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.6095, \"uniprot_position\": 266}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"267\", \"component\": \"PHE\", \"entity_position\": 58, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.9101, \"uniprot_position\": 267}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"268\", \"component\": \"GLY\", \"entity_position\": 59, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.365, \"uniprot_position\": 268}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.4913, \"uniprot_position\": 269}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"270\", \"component\": \"ALA\", \"entity_position\": 61, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.0146, \"uniprot_position\": 270}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"271\", \"component\": \"PRO\", \"entity_position\": 62, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.3643, \"uniprot_position\": 271}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 63, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.364, \"uniprot_position\": 272}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 64, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.5933, \"uniprot_position\": 273}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"274\", \"component\": \"ALA\", \"entity_position\": 65, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.7723, \"uniprot_position\": 274}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"318\", \"component\": \"LEU\", \"entity_position\": 109, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.1735, \"uniprot_position\": 318}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 112, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.4623, \"uniprot_position\": 321}]",
          "chain_id": "PDB:6UE6:CHAIN:B:UP:O96028",
          "chemical_id": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N",
          "contact_class": "native_annotation_core_contact",
          "contact_distance_rank": 1,
          "core_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 21, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.8535, \"uniprot_position\": 230}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 24, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.3241, \"uniprot_position\": 233}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"236\", \"component\": \"TRP\", \"entity_position\": 27, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.487, \"uniprot_position\": 236}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"266\", \"component\": \"PHE\", \"entity_position\": 57, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.6095, \"uniprot_position\": 266}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"267\", \"component\": \"PHE\", \"entity_position\": 58, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.9101, \"uniprot_position\": 267}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"268\", \"component\": \"GLY\", \"entity_position\": 59, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.365, \"uniprot_position\": 268}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.4913, \"uniprot_position\": 269}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"270\", \"component\": \"ALA\", \"entity_position\": 61, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.0146, \"uniprot_position\": 270}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"271\", \"component\": \"PRO\", \"entity_position\": 62, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.3643, \"uniprot_position\": 271}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 63, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.364, \"uniprot_position\": 272}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 64, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.5933, \"uniprot_position\": 273}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"274\", \"component\": \"ALA\", \"entity_position\": 65, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.7723, \"uniprot_position\": 274}]",
          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:O96028:PWWP1",
          "exact_pwwp_contact": true,
          "gene": "NSD2",
          "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": "2001",
            "ccd_id": "Q5D",
            "chemical_id": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N",
            "component_context": "nonpolymer_component",
            "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}, {\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"C\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]",
            "covalent_connection_ids": "[]",
            "heavy_atom_row_count": 20,
            "ideal_CCD_SDF_is_source_pose": 0,
            "label_asym_id": "S",
            "label_seq_id": null,
            "ligand_instance_id": "PDB:6UE6:LIG:S:Q5D:2001:.",
            "nearest_polypeptide_distance_angstrom": 3.0146,
            "nearest_polypeptide_label_asym_id": "B",
            "occupancy_max": 1.0,
            "occupancy_min": 1.0,
            "pdb_id": "6UE6",
            "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 21, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.8535, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 24, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.3241, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"236\", \"component\": \"TRP\", \"entity_position\": 27, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.487, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"266\", \"component\": \"PHE\", \"entity_position\": 57, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.6095, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"267\", \"component\": \"PHE\", \"entity_position\": 58, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.9101, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"268\", \"component\": \"GLY\", \"entity_position\": 59, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.365, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.4913, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"270\", \"component\": \"ALA\", \"entity_position\": 61, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.0146, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"271\", \"component\": \"PRO\", \"entity_position\": 62, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.3643, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 63, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.364, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 64, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.5933, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"274\", \"component\": \"ALA\", \"entity_position\": 65, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.7723, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"318\", \"component\": \"LEU\", \"entity_position\": 109, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.1735, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 112, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.4623, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.941, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"316\", \"component\": \"GLY\", \"entity_position\": 107, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.8738, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"317\", \"component\": \"LYS\", \"entity_position\": 108, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.6286, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"320\", \"component\": \"ALA\", \"entity_position\": 111, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.4529, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 112, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.3279, \"uniprot_position\": null}]",
            "pose_kind": "deposited_source_coordinates",
            "reference_model": "1",
            "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Co-Crystals/6UE6/original.cif",
            "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27",
            "unique_heavy_atom_names": 20
          },
          "ligand_instance_id": "PDB:6UE6:LIG:S:Q5D:2001:.",
          "ligand_label_asym_id": "S",
          "minimum_Pfam_distance_angstrom": 3.0146,
          "minimum_chain_distance_angstrom": 3.0146,
          "minimum_core_distance_angstrom": 3.0146,
          "multiple_contacting_mapped_chains": 1,
          "pdb_id": "6UE6",
          "protein_id": "UP:O96028",
          "protein_label_asym_id": "B",
          "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.",
          "role": "experimentally studied ligand",
          "role_category": "functional",
          "site_id": "PDB:6UE6:LIG:S:Q5D:2001:.:SITE:UP:O96028:PWWP1:B",
          "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27"
        },
        {
          "Pfam_contacts_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.941, \"uniprot_position\": 269}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"316\", \"component\": \"GLY\", \"entity_position\": 107, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.8738, \"uniprot_position\": 316}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"317\", \"component\": \"LYS\", \"entity_position\": 108, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.6286, \"uniprot_position\": 317}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"320\", \"component\": \"ALA\", \"entity_position\": 111, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.4529, \"uniprot_position\": 320}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 112, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.3279, \"uniprot_position\": 321}]",
          "biochemical_activity_inferred": 0,
          "ccd_id": "Q5D",
          "chain_contacts_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.941, \"uniprot_position\": 269}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"316\", \"component\": \"GLY\", \"entity_position\": 107, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.8738, \"uniprot_position\": 316}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"317\", \"component\": \"LYS\", \"entity_position\": 108, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.6286, \"uniprot_position\": 317}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"320\", \"component\": \"ALA\", \"entity_position\": 111, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.4529, \"uniprot_position\": 320}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 112, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.3279, \"uniprot_position\": 321}]",
          "chain_id": "PDB:6UE6:CHAIN:C:UP:O96028",
          "chemical_id": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N",
          "contact_class": "native_annotation_core_contact",
          "contact_distance_rank": 2,
          "core_contacts_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.941, \"uniprot_position\": 269}]",
          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:O96028:PWWP1",
          "exact_pwwp_contact": true,
          "gene": "NSD2",
          "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": "2001",
            "ccd_id": "Q5D",
            "chemical_id": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N",
            "component_context": "nonpolymer_component",
            "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}, {\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"C\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]",
            "covalent_connection_ids": "[]",
            "heavy_atom_row_count": 20,
            "ideal_CCD_SDF_is_source_pose": 0,
            "label_asym_id": "S",
            "label_seq_id": null,
            "ligand_instance_id": "PDB:6UE6:LIG:S:Q5D:2001:.",
            "nearest_polypeptide_distance_angstrom": 3.0146,
            "nearest_polypeptide_label_asym_id": "B",
            "occupancy_max": 1.0,
            "occupancy_min": 1.0,
            "pdb_id": "6UE6",
            "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 21, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.8535, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 24, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.3241, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"236\", \"component\": \"TRP\", \"entity_position\": 27, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.487, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"266\", \"component\": \"PHE\", \"entity_position\": 57, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.6095, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"267\", \"component\": \"PHE\", \"entity_position\": 58, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.9101, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"268\", \"component\": \"GLY\", \"entity_position\": 59, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.365, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.4913, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"270\", \"component\": \"ALA\", \"entity_position\": 61, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.0146, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"271\", \"component\": \"PRO\", \"entity_position\": 62, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.3643, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 63, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.364, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 64, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.5933, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"274\", \"component\": \"ALA\", \"entity_position\": 65, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.7723, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"318\", \"component\": \"LEU\", \"entity_position\": 109, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.1735, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 112, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.4623, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.941, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"316\", \"component\": \"GLY\", \"entity_position\": 107, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.8738, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"317\", \"component\": \"LYS\", \"entity_position\": 108, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.6286, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"320\", \"component\": \"ALA\", \"entity_position\": 111, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.4529, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 112, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.3279, \"uniprot_position\": null}]",
            "pose_kind": "deposited_source_coordinates",
            "reference_model": "1",
            "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Co-Crystals/6UE6/original.cif",
            "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27",
            "unique_heavy_atom_names": 20
          },
          "ligand_instance_id": "PDB:6UE6:LIG:S:Q5D:2001:.",
          "ligand_label_asym_id": "S",
          "minimum_Pfam_distance_angstrom": 3.4529,
          "minimum_chain_distance_angstrom": 3.4529,
          "minimum_core_distance_angstrom": 3.941,
          "multiple_contacting_mapped_chains": 1,
          "pdb_id": "6UE6",
          "protein_id": "UP:O96028",
          "protein_label_asym_id": "C",
          "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.",
          "role": "experimentally studied ligand",
          "role_category": "functional",
          "site_id": "PDB:6UE6:LIG:S:Q5D:2001:.:SITE:UP:O96028:PWWP1:C",
          "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27"
        },
        {
          "Pfam_contacts_5A": "[{\"auth_asym_id\": \"F\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 21, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.6865, \"uniprot_position\": 230}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 24, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.2766, \"uniprot_position\": 233}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"236\", \"component\": \"TRP\", \"entity_position\": 27, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.5551, \"uniprot_position\": 236}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"266\", \"component\": \"PHE\", \"entity_position\": 57, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.4555, \"uniprot_position\": 266}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"267\", \"component\": \"PHE\", \"entity_position\": 58, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.8719, \"uniprot_position\": 267}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"268\", \"component\": \"GLY\", \"entity_position\": 59, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.31, \"uniprot_position\": 268}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.4907, \"uniprot_position\": 269}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"270\", \"component\": \"ALA\", \"entity_position\": 61, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.067, \"uniprot_position\": 270}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"271\", \"component\": \"PRO\", \"entity_position\": 62, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.4133, \"uniprot_position\": 271}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 63, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.3844, \"uniprot_position\": 272}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 64, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.5672, \"uniprot_position\": 273}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"274\", \"component\": \"ALA\", \"entity_position\": 65, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.8072, \"uniprot_position\": 274}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"318\", \"component\": \"LEU\", \"entity_position\": 109, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.1801, \"uniprot_position\": 318}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 112, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.515, \"uniprot_position\": 321}]",
          "biochemical_activity_inferred": 0,
          "ccd_id": "Q5D",
          "chain_contacts_5A": "[{\"auth_asym_id\": \"F\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 21, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.6865, \"uniprot_position\": 230}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 24, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.2766, \"uniprot_position\": 233}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"236\", \"component\": \"TRP\", \"entity_position\": 27, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.5551, \"uniprot_position\": 236}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"266\", \"component\": \"PHE\", \"entity_position\": 57, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.4555, \"uniprot_position\": 266}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"267\", \"component\": \"PHE\", \"entity_position\": 58, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.8719, \"uniprot_position\": 267}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"268\", \"component\": \"GLY\", \"entity_position\": 59, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.31, \"uniprot_position\": 268}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.4907, \"uniprot_position\": 269}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"270\", \"component\": \"ALA\", \"entity_position\": 61, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.067, \"uniprot_position\": 270}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"271\", \"component\": \"PRO\", \"entity_position\": 62, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.4133, \"uniprot_position\": 271}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 63, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.3844, \"uniprot_position\": 272}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 64, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.5672, \"uniprot_position\": 273}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"274\", \"component\": \"ALA\", \"entity_position\": 65, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.8072, \"uniprot_position\": 274}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"318\", \"component\": \"LEU\", \"entity_position\": 109, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.1801, \"uniprot_position\": 318}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 112, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.515, \"uniprot_position\": 321}]",
          "chain_id": "PDB:6UE6:CHAIN:F:UP:O96028",
          "chemical_id": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N",
          "contact_class": "native_annotation_core_contact",
          "contact_distance_rank": 1,
          "core_contacts_5A": "[{\"auth_asym_id\": \"F\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 21, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.6865, \"uniprot_position\": 230}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 24, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.2766, \"uniprot_position\": 233}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"236\", \"component\": \"TRP\", \"entity_position\": 27, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.5551, \"uniprot_position\": 236}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"266\", \"component\": \"PHE\", \"entity_position\": 57, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.4555, \"uniprot_position\": 266}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"267\", \"component\": \"PHE\", \"entity_position\": 58, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.8719, \"uniprot_position\": 267}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"268\", \"component\": \"GLY\", \"entity_position\": 59, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.31, \"uniprot_position\": 268}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.4907, \"uniprot_position\": 269}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"270\", \"component\": \"ALA\", \"entity_position\": 61, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.067, \"uniprot_position\": 270}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"271\", \"component\": \"PRO\", \"entity_position\": 62, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.4133, \"uniprot_position\": 271}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 63, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.3844, \"uniprot_position\": 272}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 64, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.5672, \"uniprot_position\": 273}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"274\", \"component\": \"ALA\", \"entity_position\": 65, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.8072, \"uniprot_position\": 274}]",
          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:O96028:PWWP1",
          "exact_pwwp_contact": true,
          "gene": "NSD2",
          "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion",
          "instance": {
            "alternate_locations": "[]",
            "auth_asym_ids": "[\"F\"]",
            "auth_seq_id": "2001",
            "ccd_id": "Q5D",
            "chemical_id": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N",
            "component_context": "nonpolymer_component",
            "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"F\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}, {\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"G\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]",
            "covalent_connection_ids": "[]",
            "heavy_atom_row_count": 20,
            "ideal_CCD_SDF_is_source_pose": 0,
            "label_asym_id": "UA",
            "label_seq_id": null,
            "ligand_instance_id": "PDB:6UE6:LIG:UA:Q5D:2001:.",
            "nearest_polypeptide_distance_angstrom": 3.067,
            "nearest_polypeptide_label_asym_id": "F",
            "occupancy_max": 1.0,
            "occupancy_min": 1.0,
            "pdb_id": "6UE6",
            "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"F\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 21, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.6865, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 24, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.2766, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"236\", \"component\": \"TRP\", \"entity_position\": 27, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.5551, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"266\", \"component\": \"PHE\", \"entity_position\": 57, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.4555, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"267\", \"component\": \"PHE\", \"entity_position\": 58, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.8719, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"268\", \"component\": \"GLY\", \"entity_position\": 59, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.31, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.4907, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"270\", \"component\": \"ALA\", \"entity_position\": 61, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.067, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"271\", \"component\": \"PRO\", \"entity_position\": 62, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.4133, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 63, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.3844, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 64, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.5672, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"274\", \"component\": \"ALA\", \"entity_position\": 65, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.8072, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"318\", \"component\": \"LEU\", \"entity_position\": 109, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.1801, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 112, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.515, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.8715, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"316\", \"component\": \"GLY\", \"entity_position\": 107, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.968, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"317\", \"component\": \"LYS\", \"entity_position\": 108, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.5688, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"320\", \"component\": \"ALA\", \"entity_position\": 111, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.5891, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 112, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.1994, \"uniprot_position\": null}]",
            "pose_kind": "deposited_source_coordinates",
            "reference_model": "1",
            "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Co-Crystals/6UE6/original.cif",
            "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27",
            "unique_heavy_atom_names": 20
          },
          "ligand_instance_id": "PDB:6UE6:LIG:UA:Q5D:2001:.",
          "ligand_label_asym_id": "UA",
          "minimum_Pfam_distance_angstrom": 3.067,
          "minimum_chain_distance_angstrom": 3.067,
          "minimum_core_distance_angstrom": 3.067,
          "multiple_contacting_mapped_chains": 1,
          "pdb_id": "6UE6",
          "protein_id": "UP:O96028",
          "protein_label_asym_id": "F",
          "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.",
          "role": "experimentally studied ligand",
          "role_category": "functional",
          "site_id": "PDB:6UE6:LIG:UA:Q5D:2001:.:SITE:UP:O96028:PWWP1:F",
          "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27"
        },
        {
          "Pfam_contacts_5A": "[{\"auth_asym_id\": \"G\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.8715, \"uniprot_position\": 269}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"316\", \"component\": \"GLY\", \"entity_position\": 107, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.968, \"uniprot_position\": 316}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"317\", \"component\": \"LYS\", \"entity_position\": 108, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.5688, \"uniprot_position\": 317}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"320\", \"component\": \"ALA\", \"entity_position\": 111, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.5891, \"uniprot_position\": 320}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 112, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.1994, \"uniprot_position\": 321}]",
          "biochemical_activity_inferred": 0,
          "ccd_id": "Q5D",
          "chain_contacts_5A": "[{\"auth_asym_id\": \"G\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.8715, \"uniprot_position\": 269}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"316\", \"component\": \"GLY\", \"entity_position\": 107, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.968, \"uniprot_position\": 316}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"317\", \"component\": \"LYS\", \"entity_position\": 108, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.5688, \"uniprot_position\": 317}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"320\", \"component\": \"ALA\", \"entity_position\": 111, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.5891, \"uniprot_position\": 320}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 112, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.1994, \"uniprot_position\": 321}]",
          "chain_id": "PDB:6UE6:CHAIN:G:UP:O96028",
          "chemical_id": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N",
          "contact_class": "native_annotation_core_contact",
          "contact_distance_rank": 2,
          "core_contacts_5A": "[{\"auth_asym_id\": \"G\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.8715, \"uniprot_position\": 269}]",
          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:O96028:PWWP1",
          "exact_pwwp_contact": true,
          "gene": "NSD2",
          "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion",
          "instance": {
            "alternate_locations": "[]",
            "auth_asym_ids": "[\"F\"]",
            "auth_seq_id": "2001",
            "ccd_id": "Q5D",
            "chemical_id": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N",
            "component_context": "nonpolymer_component",
            "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"F\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}, {\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"G\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]",
            "covalent_connection_ids": "[]",
            "heavy_atom_row_count": 20,
            "ideal_CCD_SDF_is_source_pose": 0,
            "label_asym_id": "UA",
            "label_seq_id": null,
            "ligand_instance_id": "PDB:6UE6:LIG:UA:Q5D:2001:.",
            "nearest_polypeptide_distance_angstrom": 3.067,
            "nearest_polypeptide_label_asym_id": "F",
            "occupancy_max": 1.0,
            "occupancy_min": 1.0,
            "pdb_id": "6UE6",
            "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"F\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 21, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.6865, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 24, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.2766, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"236\", \"component\": \"TRP\", \"entity_position\": 27, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.5551, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"266\", \"component\": \"PHE\", \"entity_position\": 57, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.4555, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"267\", \"component\": \"PHE\", \"entity_position\": 58, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.8719, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"268\", \"component\": \"GLY\", \"entity_position\": 59, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.31, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.4907, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"270\", \"component\": \"ALA\", \"entity_position\": 61, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.067, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"271\", \"component\": \"PRO\", \"entity_position\": 62, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.4133, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 63, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.3844, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 64, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.5672, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"274\", \"component\": \"ALA\", \"entity_position\": 65, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.8072, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"318\", \"component\": \"LEU\", \"entity_position\": 109, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.1801, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 112, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.515, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.8715, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"316\", \"component\": \"GLY\", \"entity_position\": 107, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.968, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"317\", \"component\": \"LYS\", \"entity_position\": 108, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.5688, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"320\", \"component\": \"ALA\", \"entity_position\": 111, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.5891, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 112, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.1994, \"uniprot_position\": null}]",
            "pose_kind": "deposited_source_coordinates",
            "reference_model": "1",
            "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Co-Crystals/6UE6/original.cif",
            "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27",
            "unique_heavy_atom_names": 20
          },
          "ligand_instance_id": "PDB:6UE6:LIG:UA:Q5D:2001:.",
          "ligand_label_asym_id": "UA",
          "minimum_Pfam_distance_angstrom": 3.5688,
          "minimum_chain_distance_angstrom": 3.5688,
          "minimum_core_distance_angstrom": 3.8715,
          "multiple_contacting_mapped_chains": 1,
          "pdb_id": "6UE6",
          "protein_id": "UP:O96028",
          "protein_label_asym_id": "G",
          "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.",
          "role": "experimentally studied ligand",
          "role_category": "functional",
          "site_id": "PDB:6UE6:LIG:UA:Q5D:2001:.:SITE:UP:O96028:PWWP1:G",
          "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27"
        },
        {
          "Pfam_contacts_5A": "[{\"auth_asym_id\": \"G\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 21, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.8886, \"uniprot_position\": 230}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 24, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.3187, \"uniprot_position\": 233}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"236\", \"component\": \"TRP\", \"entity_position\": 27, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.5006, \"uniprot_position\": 236}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"266\", \"component\": \"PHE\", \"entity_position\": 57, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.5567, \"uniprot_position\": 266}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"267\", \"component\": \"PHE\", \"entity_position\": 58, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.8894, \"uniprot_position\": 267}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"268\", \"component\": \"GLY\", \"entity_position\": 59, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.3608, \"uniprot_position\": 268}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.4841, \"uniprot_position\": 269}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"270\", \"component\": \"ALA\", \"entity_position\": 61, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.0377, \"uniprot_position\": 270}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"271\", \"component\": \"PRO\", \"entity_position\": 62, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.3328, \"uniprot_position\": 271}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 63, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.4051, \"uniprot_position\": 272}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 64, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.5948, \"uniprot_position\": 273}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"274\", \"component\": \"ALA\", \"entity_position\": 65, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.8665, \"uniprot_position\": 274}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"318\", \"component\": \"LEU\", \"entity_position\": 109, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.1319, \"uniprot_position\": 318}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 112, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.4846, \"uniprot_position\": 321}]",
          "biochemical_activity_inferred": 0,
          "ccd_id": "Q5D",
          "chain_contacts_5A": "[{\"auth_asym_id\": \"G\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 21, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.8886, \"uniprot_position\": 230}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 24, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.3187, \"uniprot_position\": 233}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"236\", \"component\": \"TRP\", \"entity_position\": 27, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.5006, \"uniprot_position\": 236}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"266\", \"component\": \"PHE\", \"entity_position\": 57, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.5567, \"uniprot_position\": 266}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"267\", \"component\": \"PHE\", \"entity_position\": 58, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.8894, \"uniprot_position\": 267}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"268\", \"component\": \"GLY\", \"entity_position\": 59, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.3608, \"uniprot_position\": 268}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.4841, \"uniprot_position\": 269}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"270\", \"component\": \"ALA\", \"entity_position\": 61, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.0377, \"uniprot_position\": 270}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"271\", \"component\": \"PRO\", \"entity_position\": 62, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.3328, \"uniprot_position\": 271}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 63, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.4051, \"uniprot_position\": 272}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 64, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.5948, \"uniprot_position\": 273}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"274\", \"component\": \"ALA\", \"entity_position\": 65, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.8665, \"uniprot_position\": 274}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"318\", \"component\": \"LEU\", \"entity_position\": 109, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.1319, \"uniprot_position\": 318}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 112, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.4846, \"uniprot_position\": 321}]",
          "chain_id": "PDB:6UE6:CHAIN:G:UP:O96028",
          "chemical_id": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N",
          "contact_class": "native_annotation_core_contact",
          "contact_distance_rank": 1,
          "core_contacts_5A": "[{\"auth_asym_id\": \"G\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 21, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.8886, \"uniprot_position\": 230}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 24, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.3187, \"uniprot_position\": 233}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"236\", \"component\": \"TRP\", \"entity_position\": 27, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.5006, \"uniprot_position\": 236}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"266\", \"component\": \"PHE\", \"entity_position\": 57, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.5567, \"uniprot_position\": 266}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"267\", \"component\": \"PHE\", \"entity_position\": 58, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.8894, \"uniprot_position\": 267}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"268\", \"component\": \"GLY\", \"entity_position\": 59, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.3608, \"uniprot_position\": 268}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.4841, \"uniprot_position\": 269}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"270\", \"component\": \"ALA\", \"entity_position\": 61, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.0377, \"uniprot_position\": 270}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"271\", \"component\": \"PRO\", \"entity_position\": 62, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.3328, \"uniprot_position\": 271}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 63, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.4051, \"uniprot_position\": 272}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 64, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.5948, \"uniprot_position\": 273}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"274\", \"component\": \"ALA\", \"entity_position\": 65, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.8665, \"uniprot_position\": 274}]",
          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:O96028:PWWP1",
          "exact_pwwp_contact": true,
          "gene": "NSD2",
          "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion",
          "instance": {
            "alternate_locations": "[]",
            "auth_asym_ids": "[\"G\"]",
            "auth_seq_id": "2001",
            "ccd_id": "Q5D",
            "chemical_id": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N",
            "component_context": "nonpolymer_component",
            "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"G\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}, {\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"H\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]",
            "covalent_connection_ids": "[]",
            "heavy_atom_row_count": 20,
            "ideal_CCD_SDF_is_source_pose": 0,
            "label_asym_id": "ZA",
            "label_seq_id": null,
            "ligand_instance_id": "PDB:6UE6:LIG:ZA:Q5D:2001:.",
            "nearest_polypeptide_distance_angstrom": 3.0377,
            "nearest_polypeptide_label_asym_id": "G",
            "occupancy_max": 1.0,
            "occupancy_min": 1.0,
            "pdb_id": "6UE6",
            "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"G\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 21, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.8886, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 24, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.3187, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"236\", \"component\": \"TRP\", \"entity_position\": 27, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.5006, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"266\", \"component\": \"PHE\", \"entity_position\": 57, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.5567, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"267\", \"component\": \"PHE\", \"entity_position\": 58, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.8894, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"268\", \"component\": \"GLY\", \"entity_position\": 59, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.3608, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.4841, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"270\", \"component\": \"ALA\", \"entity_position\": 61, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.0377, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"271\", \"component\": \"PRO\", \"entity_position\": 62, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.3328, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 63, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.4051, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 64, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.5948, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"274\", \"component\": \"ALA\", \"entity_position\": 65, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.8665, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"318\", \"component\": \"LEU\", \"entity_position\": 109, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.1319, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 112, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.4846, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.909, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"316\", \"component\": \"GLY\", \"entity_position\": 107, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 4.864, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"317\", \"component\": \"LYS\", \"entity_position\": 108, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.8308, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"320\", \"component\": \"ALA\", \"entity_position\": 111, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.5373, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 112, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 4.2923, \"uniprot_position\": null}]",
            "pose_kind": "deposited_source_coordinates",
            "reference_model": "1",
            "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Co-Crystals/6UE6/original.cif",
            "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27",
            "unique_heavy_atom_names": 20
          },
          "ligand_instance_id": "PDB:6UE6:LIG:ZA:Q5D:2001:.",
          "ligand_label_asym_id": "ZA",
          "minimum_Pfam_distance_angstrom": 3.0377,
          "minimum_chain_distance_angstrom": 3.0377,
          "minimum_core_distance_angstrom": 3.0377,
          "multiple_contacting_mapped_chains": 1,
          "pdb_id": "6UE6",
          "protein_id": "UP:O96028",
          "protein_label_asym_id": "G",
          "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.",
          "role": "experimentally studied ligand",
          "role_category": "functional",
          "site_id": "PDB:6UE6:LIG:ZA:Q5D:2001:.:SITE:UP:O96028:PWWP1:G",
          "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27"
        },
        {
          "Pfam_contacts_5A": "[{\"auth_asym_id\": \"H\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.909, \"uniprot_position\": 269}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"316\", \"component\": \"GLY\", \"entity_position\": 107, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 4.864, \"uniprot_position\": 316}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"317\", \"component\": \"LYS\", \"entity_position\": 108, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.8308, \"uniprot_position\": 317}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"320\", \"component\": \"ALA\", \"entity_position\": 111, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.5373, \"uniprot_position\": 320}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 112, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 4.2923, \"uniprot_position\": 321}]",
          "biochemical_activity_inferred": 0,
          "ccd_id": "Q5D",
          "chain_contacts_5A": "[{\"auth_asym_id\": \"H\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.909, \"uniprot_position\": 269}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"316\", \"component\": \"GLY\", \"entity_position\": 107, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 4.864, \"uniprot_position\": 316}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"317\", \"component\": \"LYS\", \"entity_position\": 108, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.8308, \"uniprot_position\": 317}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"320\", \"component\": \"ALA\", \"entity_position\": 111, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.5373, \"uniprot_position\": 320}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 112, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 4.2923, \"uniprot_position\": 321}]",
          "chain_id": "PDB:6UE6:CHAIN:H:UP:O96028",
          "chemical_id": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N",
          "contact_class": "native_annotation_core_contact",
          "contact_distance_rank": 2,
          "core_contacts_5A": "[{\"auth_asym_id\": \"H\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.909, \"uniprot_position\": 269}]",
          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:O96028:PWWP1",
          "exact_pwwp_contact": true,
          "gene": "NSD2",
          "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion",
          "instance": {
            "alternate_locations": "[]",
            "auth_asym_ids": "[\"G\"]",
            "auth_seq_id": "2001",
            "ccd_id": "Q5D",
            "chemical_id": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N",
            "component_context": "nonpolymer_component",
            "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"G\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}, {\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"H\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]",
            "covalent_connection_ids": "[]",
            "heavy_atom_row_count": 20,
            "ideal_CCD_SDF_is_source_pose": 0,
            "label_asym_id": "ZA",
            "label_seq_id": null,
            "ligand_instance_id": "PDB:6UE6:LIG:ZA:Q5D:2001:.",
            "nearest_polypeptide_distance_angstrom": 3.0377,
            "nearest_polypeptide_label_asym_id": "G",
            "occupancy_max": 1.0,
            "occupancy_min": 1.0,
            "pdb_id": "6UE6",
            "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"G\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 21, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.8886, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 24, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.3187, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"236\", \"component\": \"TRP\", \"entity_position\": 27, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.5006, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"266\", \"component\": \"PHE\", \"entity_position\": 57, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.5567, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"267\", \"component\": \"PHE\", \"entity_position\": 58, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.8894, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"268\", \"component\": \"GLY\", \"entity_position\": 59, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.3608, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.4841, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"270\", \"component\": \"ALA\", \"entity_position\": 61, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.0377, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"271\", \"component\": \"PRO\", \"entity_position\": 62, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.3328, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 63, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.4051, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 64, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.5948, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"274\", \"component\": \"ALA\", \"entity_position\": 65, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.8665, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"318\", \"component\": \"LEU\", \"entity_position\": 109, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.1319, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 112, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.4846, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.909, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"316\", \"component\": \"GLY\", \"entity_position\": 107, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 4.864, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"317\", \"component\": \"LYS\", \"entity_position\": 108, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.8308, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"320\", \"component\": \"ALA\", \"entity_position\": 111, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.5373, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 112, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 4.2923, \"uniprot_position\": null}]",
            "pose_kind": "deposited_source_coordinates",
            "reference_model": "1",
            "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Co-Crystals/6UE6/original.cif",
            "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27",
            "unique_heavy_atom_names": 20
          },
          "ligand_instance_id": "PDB:6UE6:LIG:ZA:Q5D:2001:.",
          "ligand_label_asym_id": "ZA",
          "minimum_Pfam_distance_angstrom": 3.5373,
          "minimum_chain_distance_angstrom": 3.5373,
          "minimum_core_distance_angstrom": 3.909,
          "multiple_contacting_mapped_chains": 1,
          "pdb_id": "6UE6",
          "protein_id": "UP:O96028",
          "protein_label_asym_id": "H",
          "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.",
          "role": "experimentally studied ligand",
          "role_category": "functional",
          "site_id": "PDB:6UE6:LIG:ZA:Q5D:2001:.:SITE:UP:O96028:PWWP1:H",
          "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27"
        }
      ],
      "context_assay_count": 2,
      "context_measured_count": 2,
      "context_bound_count": 1,
      "context_pdb_count": 1,
      "context_negative_count": 0,
      "context_is_probe": false,
      "context_bioactivity_only": false,
      "context_kind": "Measured + bound structure",
      "science": {
        "studied_compound": true,
        "measured_count": 2,
        "structural_research_ligand": true,
        "research_pdb_count": 1,
        "other_component": false,
        "component_site_count": 0,
        "verification_queue": false,
        "positive_direct_binder": true,
        "reported_probe": false,
        "reported_control": false,
        "cellular_activity": false,
        "protein_degradation": false,
        "bioactivity_only": false,
        "research_site_count": 16,
        "unknown_site_count": 0,
        "annotation_roles": [
          "studied",
          "structural"
        ]
      },
      "science_label": "Studied + deposited research ligand",
      "science_profile": {
        "annotation_roles": [
          "studied",
          "structural"
        ],
        "cellular_activity": false,
        "chemical_id": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N",
        "compound_id": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N",
        "entity_kind": "chemical_identity",
        "identity_resolved": true,
        "measured_observation_count": 2,
        "name": "MR837 (3f)",
        "other_pdb_component": false,
        "other_site_count": 0,
        "positive_direct_binder": true,
        "primary_view": "studied",
        "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:0002",
          "PWWP:ASSAY:0001"
        ],
        "source_site_ids": [
          "PDB:6UE6:LIG:I:Q5D:2001:.:SITE:UP:O96028:PWWP1:A",
          "PDB:6UE6:LIG:KA:Q5D:2001:.:SITE:UP:O96028:PWWP1:A",
          "PDB:6UE6:LIG:S:Q5D:2001:.:SITE:UP:O96028:PWWP1:B",
          "PDB:6UE6:LIG:I:Q5D:2001:.:SITE:UP:O96028:PWWP1:B",
          "PDB:6UE6:LIG:EA:Q5D:2001:.:SITE:UP:O96028:PWWP1:C",
          "PDB:6UE6:LIG:S:Q5D:2001:.:SITE:UP:O96028:PWWP1:C",
          "PDB:6UE6:LIG:KA:Q5D:2001:.:SITE:UP:O96028:PWWP1:D",
          "PDB:6UE6:LIG:EA:Q5D:2001:.:SITE:UP:O96028:PWWP1:D",
          "PDB:6UE6:LIG:OA:Q5D:2001:.:SITE:UP:O96028:PWWP1:E",
          "PDB:6UE6:LIG:LB:Q5D:2001:.:SITE:UP:O96028:PWWP1:E",
          "PDB:6UE6:LIG:UA:Q5D:2001:.:SITE:UP:O96028:PWWP1:F",
          "PDB:6UE6:LIG:OA:Q5D:2001:.:SITE:UP:O96028:PWWP1:F",
          "PDB:6UE6:LIG:ZA:Q5D:2001:.:SITE:UP:O96028:PWWP1:G",
          "PDB:6UE6:LIG:UA:Q5D:2001:.:SITE:UP:O96028:PWWP1:G",
          "PDB:6UE6:LIG:LB:Q5D:2001:.:SITE:UP:O96028:PWWP1:H",
          "PDB:6UE6:LIG:ZA:Q5D:2001:.:SITE:UP:O96028:PWWP1:H"
        ],
        "structural_research_ligand": true,
        "structural_research_site_count": 16,
        "studied_compound": true,
        "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:6UE6:LIG:EA:Q5D:2001:.:SITE:UP:O96028:PWWP1:C": {
          "ccd_url": "https://www.rcsb.org/ligand/Q5D",
          "chemical_id": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N",
          "compound_id": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N",
          "contact_class": "native_annotation_core_contact",
          "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27",
          "domain_id": "UP:O96028:PWWP1",
          "exact_pwwp_contact": true,
          "ligand_instance_id": "PDB:6UE6:LIG:EA:Q5D:2001:.",
          "observed_other_component": false,
          "pdb_id": "6UE6",
          "protein_id": "UP:O96028",
          "role_code": "reported_studied_structural_ligand",
          "role_group": "research_ligand",
          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:6UE6:LIG:EA:Q5D:2001:.:SITE:UP:O96028:PWWP1:C",
          "source_role": "experimentally studied ligand",
          "source_url": "https://www.rcsb.org/structure/6UE6",
          "structural_research_ligand": true,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:6UE6:LIG:EA:Q5D:2001:.:SITE:UP:O96028:PWWP1:D": {
          "ccd_url": "https://www.rcsb.org/ligand/Q5D",
          "chemical_id": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N",
          "compound_id": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N",
          "contact_class": "native_annotation_core_contact",
          "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27",
          "domain_id": "UP:O96028:PWWP1",
          "exact_pwwp_contact": true,
          "ligand_instance_id": "PDB:6UE6:LIG:EA:Q5D:2001:.",
          "observed_other_component": false,
          "pdb_id": "6UE6",
          "protein_id": "UP:O96028",
          "role_code": "reported_studied_structural_ligand",
          "role_group": "research_ligand",
          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:6UE6:LIG:EA:Q5D:2001:.:SITE:UP:O96028:PWWP1:D",
          "source_role": "experimentally studied ligand",
          "source_url": "https://www.rcsb.org/structure/6UE6",
          "structural_research_ligand": true,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:6UE6:LIG:I:Q5D:2001:.:SITE:UP:O96028:PWWP1:A": {
          "ccd_url": "https://www.rcsb.org/ligand/Q5D",
          "chemical_id": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N",
          "compound_id": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N",
          "contact_class": "native_annotation_core_contact",
          "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27",
          "domain_id": "UP:O96028:PWWP1",
          "exact_pwwp_contact": true,
          "ligand_instance_id": "PDB:6UE6:LIG:I:Q5D:2001:.",
          "observed_other_component": false,
          "pdb_id": "6UE6",
          "protein_id": "UP:O96028",
          "role_code": "reported_studied_structural_ligand",
          "role_group": "research_ligand",
          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:6UE6:LIG:I:Q5D:2001:.:SITE:UP:O96028:PWWP1:A",
          "source_role": "experimentally studied ligand",
          "source_url": "https://www.rcsb.org/structure/6UE6",
          "structural_research_ligand": true,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:6UE6:LIG:I:Q5D:2001:.:SITE:UP:O96028:PWWP1:B": {
          "ccd_url": "https://www.rcsb.org/ligand/Q5D",
          "chemical_id": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N",
          "compound_id": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N",
          "contact_class": "native_annotation_core_contact",
          "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27",
          "domain_id": "UP:O96028:PWWP1",
          "exact_pwwp_contact": true,
          "ligand_instance_id": "PDB:6UE6:LIG:I:Q5D:2001:.",
          "observed_other_component": false,
          "pdb_id": "6UE6",
          "protein_id": "UP:O96028",
          "role_code": "reported_studied_structural_ligand",
          "role_group": "research_ligand",
          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:6UE6:LIG:I:Q5D:2001:.:SITE:UP:O96028:PWWP1:B",
          "source_role": "experimentally studied ligand",
          "source_url": "https://www.rcsb.org/structure/6UE6",
          "structural_research_ligand": true,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:6UE6:LIG:KA:Q5D:2001:.:SITE:UP:O96028:PWWP1:A": {
          "ccd_url": "https://www.rcsb.org/ligand/Q5D",
          "chemical_id": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N",
          "compound_id": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N",
          "contact_class": "native_annotation_core_contact",
          "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27",
          "domain_id": "UP:O96028:PWWP1",
          "exact_pwwp_contact": true,
          "ligand_instance_id": "PDB:6UE6:LIG:KA:Q5D:2001:.",
          "observed_other_component": false,
          "pdb_id": "6UE6",
          "protein_id": "UP:O96028",
          "role_code": "reported_studied_structural_ligand",
          "role_group": "research_ligand",
          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:6UE6:LIG:KA:Q5D:2001:.:SITE:UP:O96028:PWWP1:A",
          "source_role": "experimentally studied ligand",
          "source_url": "https://www.rcsb.org/structure/6UE6",
          "structural_research_ligand": true,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:6UE6:LIG:KA:Q5D:2001:.:SITE:UP:O96028:PWWP1:D": {
          "ccd_url": "https://www.rcsb.org/ligand/Q5D",
          "chemical_id": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N",
          "compound_id": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N",
          "contact_class": "native_annotation_core_contact",
          "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27",
          "domain_id": "UP:O96028:PWWP1",
          "exact_pwwp_contact": true,
          "ligand_instance_id": "PDB:6UE6:LIG:KA:Q5D:2001:.",
          "observed_other_component": false,
          "pdb_id": "6UE6",
          "protein_id": "UP:O96028",
          "role_code": "reported_studied_structural_ligand",
          "role_group": "research_ligand",
          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:6UE6:LIG:KA:Q5D:2001:.:SITE:UP:O96028:PWWP1:D",
          "source_role": "experimentally studied ligand",
          "source_url": "https://www.rcsb.org/structure/6UE6",
          "structural_research_ligand": true,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:6UE6:LIG:LB:Q5D:2001:.:SITE:UP:O96028:PWWP1:E": {
          "ccd_url": "https://www.rcsb.org/ligand/Q5D",
          "chemical_id": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N",
          "compound_id": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N",
          "contact_class": "native_annotation_core_contact",
          "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27",
          "domain_id": "UP:O96028:PWWP1",
          "exact_pwwp_contact": true,
          "ligand_instance_id": "PDB:6UE6:LIG:LB:Q5D:2001:.",
          "observed_other_component": false,
          "pdb_id": "6UE6",
          "protein_id": "UP:O96028",
          "role_code": "reported_studied_structural_ligand",
          "role_group": "research_ligand",
          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:6UE6:LIG:LB:Q5D:2001:.:SITE:UP:O96028:PWWP1:E",
          "source_role": "experimentally studied ligand",
          "source_url": "https://www.rcsb.org/structure/6UE6",
          "structural_research_ligand": true,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:6UE6:LIG:LB:Q5D:2001:.:SITE:UP:O96028:PWWP1:H": {
          "ccd_url": "https://www.rcsb.org/ligand/Q5D",
          "chemical_id": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N",
          "compound_id": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N",
          "contact_class": "native_annotation_core_contact",
          "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27",
          "domain_id": "UP:O96028:PWWP1",
          "exact_pwwp_contact": true,
          "ligand_instance_id": "PDB:6UE6:LIG:LB:Q5D:2001:.",
          "observed_other_component": false,
          "pdb_id": "6UE6",
          "protein_id": "UP:O96028",
          "role_code": "reported_studied_structural_ligand",
          "role_group": "research_ligand",
          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:6UE6:LIG:LB:Q5D:2001:.:SITE:UP:O96028:PWWP1:H",
          "source_role": "experimentally studied ligand",
          "source_url": "https://www.rcsb.org/structure/6UE6",
          "structural_research_ligand": true,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:6UE6:LIG:OA:Q5D:2001:.:SITE:UP:O96028:PWWP1:E": {
          "ccd_url": "https://www.rcsb.org/ligand/Q5D",
          "chemical_id": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N",
          "compound_id": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N",
          "contact_class": "native_annotation_core_contact",
          "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27",
          "domain_id": "UP:O96028:PWWP1",
          "exact_pwwp_contact": true,
          "ligand_instance_id": "PDB:6UE6:LIG:OA:Q5D:2001:.",
          "observed_other_component": false,
          "pdb_id": "6UE6",
          "protein_id": "UP:O96028",
          "role_code": "reported_studied_structural_ligand",
          "role_group": "research_ligand",
          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:6UE6:LIG:OA:Q5D:2001:.:SITE:UP:O96028:PWWP1:E",
          "source_role": "experimentally studied ligand",
          "source_url": "https://www.rcsb.org/structure/6UE6",
          "structural_research_ligand": true,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:6UE6:LIG:OA:Q5D:2001:.:SITE:UP:O96028:PWWP1:F": {
          "ccd_url": "https://www.rcsb.org/ligand/Q5D",
          "chemical_id": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N",
          "compound_id": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N",
          "contact_class": "native_annotation_core_contact",
          "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27",
          "domain_id": "UP:O96028:PWWP1",
          "exact_pwwp_contact": true,
          "ligand_instance_id": "PDB:6UE6:LIG:OA:Q5D:2001:.",
          "observed_other_component": false,
          "pdb_id": "6UE6",
          "protein_id": "UP:O96028",
          "role_code": "reported_studied_structural_ligand",
          "role_group": "research_ligand",
          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:6UE6:LIG:OA:Q5D:2001:.:SITE:UP:O96028:PWWP1:F",
          "source_role": "experimentally studied ligand",
          "source_url": "https://www.rcsb.org/structure/6UE6",
          "structural_research_ligand": true,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:6UE6:LIG:S:Q5D:2001:.:SITE:UP:O96028:PWWP1:B": {
          "ccd_url": "https://www.rcsb.org/ligand/Q5D",
          "chemical_id": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N",
          "compound_id": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N",
          "contact_class": "native_annotation_core_contact",
          "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27",
          "domain_id": "UP:O96028:PWWP1",
          "exact_pwwp_contact": true,
          "ligand_instance_id": "PDB:6UE6:LIG:S:Q5D:2001:.",
          "observed_other_component": false,
          "pdb_id": "6UE6",
          "protein_id": "UP:O96028",
          "role_code": "reported_studied_structural_ligand",
          "role_group": "research_ligand",
          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:6UE6:LIG:S:Q5D:2001:.:SITE:UP:O96028:PWWP1:B",
          "source_role": "experimentally studied ligand",
          "source_url": "https://www.rcsb.org/structure/6UE6",
          "structural_research_ligand": true,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:6UE6:LIG:S:Q5D:2001:.:SITE:UP:O96028:PWWP1:C": {
          "ccd_url": "https://www.rcsb.org/ligand/Q5D",
          "chemical_id": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N",
          "compound_id": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N",
          "contact_class": "native_annotation_core_contact",
          "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27",
          "domain_id": "UP:O96028:PWWP1",
          "exact_pwwp_contact": true,
          "ligand_instance_id": "PDB:6UE6:LIG:S:Q5D:2001:.",
          "observed_other_component": false,
          "pdb_id": "6UE6",
          "protein_id": "UP:O96028",
          "role_code": "reported_studied_structural_ligand",
          "role_group": "research_ligand",
          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:6UE6:LIG:S:Q5D:2001:.:SITE:UP:O96028:PWWP1:C",
          "source_role": "experimentally studied ligand",
          "source_url": "https://www.rcsb.org/structure/6UE6",
          "structural_research_ligand": true,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:6UE6:LIG:UA:Q5D:2001:.:SITE:UP:O96028:PWWP1:F": {
          "ccd_url": "https://www.rcsb.org/ligand/Q5D",
          "chemical_id": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N",
          "compound_id": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N",
          "contact_class": "native_annotation_core_contact",
          "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27",
          "domain_id": "UP:O96028:PWWP1",
          "exact_pwwp_contact": true,
          "ligand_instance_id": "PDB:6UE6:LIG:UA:Q5D:2001:.",
          "observed_other_component": false,
          "pdb_id": "6UE6",
          "protein_id": "UP:O96028",
          "role_code": "reported_studied_structural_ligand",
          "role_group": "research_ligand",
          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:6UE6:LIG:UA:Q5D:2001:.:SITE:UP:O96028:PWWP1:F",
          "source_role": "experimentally studied ligand",
          "source_url": "https://www.rcsb.org/structure/6UE6",
          "structural_research_ligand": true,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:6UE6:LIG:UA:Q5D:2001:.:SITE:UP:O96028:PWWP1:G": {
          "ccd_url": "https://www.rcsb.org/ligand/Q5D",
          "chemical_id": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N",
          "compound_id": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N",
          "contact_class": "native_annotation_core_contact",
          "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27",
          "domain_id": "UP:O96028:PWWP1",
          "exact_pwwp_contact": true,
          "ligand_instance_id": "PDB:6UE6:LIG:UA:Q5D:2001:.",
          "observed_other_component": false,
          "pdb_id": "6UE6",
          "protein_id": "UP:O96028",
          "role_code": "reported_studied_structural_ligand",
          "role_group": "research_ligand",
          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:6UE6:LIG:UA:Q5D:2001:.:SITE:UP:O96028:PWWP1:G",
          "source_role": "experimentally studied ligand",
          "source_url": "https://www.rcsb.org/structure/6UE6",
          "structural_research_ligand": true,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:6UE6:LIG:ZA:Q5D:2001:.:SITE:UP:O96028:PWWP1:G": {
          "ccd_url": "https://www.rcsb.org/ligand/Q5D",
          "chemical_id": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N",
          "compound_id": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N",
          "contact_class": "native_annotation_core_contact",
          "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27",
          "domain_id": "UP:O96028:PWWP1",
          "exact_pwwp_contact": true,
          "ligand_instance_id": "PDB:6UE6:LIG:ZA:Q5D:2001:.",
          "observed_other_component": false,
          "pdb_id": "6UE6",
          "protein_id": "UP:O96028",
          "role_code": "reported_studied_structural_ligand",
          "role_group": "research_ligand",
          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:6UE6:LIG:ZA:Q5D:2001:.:SITE:UP:O96028:PWWP1:G",
          "source_role": "experimentally studied ligand",
          "source_url": "https://www.rcsb.org/structure/6UE6",
          "structural_research_ligand": true,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:6UE6:LIG:ZA:Q5D:2001:.:SITE:UP:O96028:PWWP1:H": {
          "ccd_url": "https://www.rcsb.org/ligand/Q5D",
          "chemical_id": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N",
          "compound_id": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N",
          "contact_class": "native_annotation_core_contact",
          "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27",
          "domain_id": "UP:O96028:PWWP1",
          "exact_pwwp_contact": true,
          "ligand_instance_id": "PDB:6UE6:LIG:ZA:Q5D:2001:.",
          "observed_other_component": false,
          "pdb_id": "6UE6",
          "protein_id": "UP:O96028",
          "role_code": "reported_studied_structural_ligand",
          "role_group": "research_ligand",
          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:6UE6:LIG:ZA:Q5D:2001:.:SITE:UP:O96028:PWWP1:H",
          "source_role": "experimentally studied ligand",
          "source_url": "https://www.rcsb.org/structure/6UE6",
          "structural_research_ligand": true,
          "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:0001": {
          "chemical_id": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N",
          "compound_id": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N",
          "domain_id": "UP:O96028:PWWP1",
          "endpoint": "Kd",
          "evidence_type": "direct_binding",
          "explicitly_negative": false,
          "measured": true,
          "method": "SPR",
          "molecular_entity_type": "small_molecule_preparation",
          "observation_id": "PWWP:ASSAY:0001",
          "operator": "=",
          "positive_direct_binder": true,
          "preparation_id": "PREP:MR837",
          "protein_id": "UP:O96028",
          "remaining_uncertainty": "Full assay buffer, temperature and incubation metadata not transcribed; null means uncurated, not absent.",
          "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": "S01",
          "source_location": "Results; Figure 2",
          "source_role": "experimentally_studied_ligand",
          "source_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC8130708/",
          "source_verification_scope": "primary_article_selected_indexed_full_text_passages; original figures and supplement not independently opened",
          "studied_compound": true,
          "target_scope": "domain_specific",
          "target_variant": null,
          "units": "µM",
          "value": 7.0,
          "verification_status": "primary_full_text_sections_verified"
        },
        "PWWP:ASSAY:0002": {
          "chemical_id": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N",
          "compound_id": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N",
          "domain_id": "UP:O96028:PWWP1",
          "endpoint": "Kd",
          "evidence_type": "direct_binding",
          "explicitly_negative": false,
          "measured": true,
          "method": "SPR",
          "molecular_entity_type": "small_molecule_preparation",
          "observation_id": "PWWP:ASSAY:0002",
          "operator": "=",
          "positive_direct_binder": true,
          "preparation_id": "PREP:MR837",
          "protein_id": "UP:O96028",
          "remaining_uncertainty": "Full assay buffer, temperature and incubation metadata not transcribed; null means uncurated, not absent.",
          "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": "S01",
          "source_location": "Results; Figure S6",
          "source_role": "experimentally_studied_ligand",
          "source_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC8130708/",
          "source_verification_scope": "primary_article_selected_indexed_full_text_passages; original figures and supplement not independently opened",
          "studied_compound": true,
          "target_scope": "domain_specific",
          "target_variant": null,
          "units": "µM",
          "value": 3.4,
          "verification_status": "primary_full_text_sections_verified"
        }
      },
      "example": {
        "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:0001",
        "assay_type": "SPR Kd",
        "assay_value_transferred_to_modeled_stereoisomers": 0,
        "audit_decision": "retain_with_explicit_endpoint_and_identity",
        "baseline_assay_record": 1,
        "buffer": null,
        "ccd_id": "Q5D",
        "ccd_mapping_source": "Provenance/Literature/ligand_ccd_associations.json",
        "chemical_id": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N",
        "chemical_identity_status": "exact_single_CCD_identity",
        "component_context": null,
        "compound_id": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N",
        "compound_name": "MR837 (3f)",
        "conditions": "{}",
        "crystallographic_component_ids": null,
        "curation_version": "frozen-v1.2",
        "domain": "PWWP1",
        "domain_id": "UP:O96028:PWWP1",
        "endpoint": "Kd",
        "endpoint_label_status": null,
        "evidence_class": "direct_binding_affinity",
        "evidence_location": "Results; Figure 2",
        "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC8130708/",
        "gene": "NSD2",
        "interpretation": "Distinct condition from the lower-DMSO SPR measurement; do not average.",
        "is_measured": true,
        "is_negative": false,
        "method": "SPR",
        "molecular_entity_type": "small_molecule_preparation",
        "normalized_exact_uM": 7.0,
        "numeric_transcription_status": "matches_primary_report",
        "numeric_value_inferred_from_structure": 0,
        "organism": "Homo sapiens",
        "pH": null,
        "pdb_id": "6UE6",
        "preparation_id": "PREP:MR837",
        "protein_id": "UP:O96028",
        "publication_year": 2021,
        "qualitative_result": null,
        "reference_id": "PMID:33522809",
        "remaining_uncertainty": "Full assay buffer, temperature and incubation metadata not transcribed; null means uncurated, not absent.",
        "replicates": null,
        "role": "experimentally_studied_ligand",
        "source_component_url": null,
        "source_database": "Primary literature (frozen Atlas)",
        "source_id": "S01",
        "source_measurement_key": "c836db439e09abccf4ee113af0c254beb168b73493a47ef4b57f21499a0c6459",
        "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:0001",
          "assay_type": "SPR Kd",
          "assay_value_transferred_to_modeled_stereoisomers": 0,
          "audit_decision": "retain_with_explicit_endpoint_and_identity",
          "baseline_assay_record": 1,
          "buffer": null,
          "ccd_id": "Q5D",
          "ccd_mapping_source": "Provenance/Literature/ligand_ccd_associations.json",
          "chemical_id": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N",
          "chemical_identity_status": "exact_single_CCD_identity",
          "component_context": null,
          "compound_name": "MR837 (3f)",
          "conditions": "{}",
          "crystallographic_component_ids": null,
          "domain": "PWWP1",
          "domain_id": "UP:O96028:PWWP1",
          "endpoint_label_status": null,
          "evidence_class": "direct_binding_affinity",
          "evidence_location": "Results; Figure 2",
          "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC8130708/",
          "gene": "NSD2",
          "interpretation": "Distinct condition from the lower-DMSO SPR measurement; do not average.",
          "molecular_entity_type": "small_molecule_preparation",
          "numeric_transcription_status": "matches_primary_report",
          "numeric_value_inferred_from_structure": 0,
          "pH": null,
          "pdb_id": "6UE6",
          "preparation_id": "PREP:MR837",
          "protein_id": "UP:O96028",
          "qualitative_result": null,
          "reference_id": "PMID:33522809",
          "remaining_uncertainty": "Full assay buffer, temperature and incubation metadata not transcribed; null means uncurated, not absent.",
          "replicates": null,
          "role": "experimentally_studied_ligand",
          "source_component_url": null,
          "source_id": "S01",
          "source_reported_uncertainty": "3",
          "source_reported_units": "µM",
          "source_reported_value": "7",
          "source_verification_scope": "primary_article_selected_indexed_full_text_passages; original figures and supplement not independently opened",
          "temperature_C": null,
          "uncertainty": 3.0,
          "uncertainty_type": null,
          "uncertainty_uM": 3.0,
          "unit_conversion": null,
          "units": "µM",
          "value": 7.0,
          "value_operator": "=",
          "value_uM": 7.0,
          "verification_level": "primary_full_text_sections_verified"
        },
        "source_reported_uncertainty": "3",
        "source_reported_units": "µM",
        "source_reported_value": "7",
        "source_verification_scope": "primary_article_selected_indexed_full_text_passages; original figures and supplement not independently opened",
        "target_scope": "domain_specific",
        "temperature_C": null,
        "uncertainty": 3.0,
        "uncertainty_type": null,
        "uncertainty_uM": 3.0,
        "unit_conversion": null,
        "units": "µM",
        "value": 7.0,
        "value_operator": "=",
        "value_uM": 7.0,
        "verification_level": "primary_full_text_sections_verified"
      },
      "matched_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:0001",
          "assay_type": "SPR Kd",
          "assay_value_transferred_to_modeled_stereoisomers": 0,
          "audit_decision": "retain_with_explicit_endpoint_and_identity",
          "baseline_assay_record": 1,
          "buffer": null,
          "ccd_id": "Q5D",
          "ccd_mapping_source": "Provenance/Literature/ligand_ccd_associations.json",
          "chemical_id": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N",
          "chemical_identity_status": "exact_single_CCD_identity",
          "component_context": null,
          "compound_id": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N",
          "compound_name": "MR837 (3f)",
          "conditions": "{}",
          "crystallographic_component_ids": null,
          "curation_version": "frozen-v1.2",
          "domain": "PWWP1",
          "domain_id": "UP:O96028:PWWP1",
          "endpoint": "Kd",
          "endpoint_label_status": null,
          "evidence_class": "direct_binding_affinity",
          "evidence_location": "Results; Figure 2",
          "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC8130708/",
          "gene": "NSD2",
          "interpretation": "Distinct condition from the lower-DMSO SPR measurement; do not average.",
          "is_measured": true,
          "is_negative": false,
          "method": "SPR",
          "molecular_entity_type": "small_molecule_preparation",
          "normalized_exact_uM": 7.0,
          "numeric_transcription_status": "matches_primary_report",
          "numeric_value_inferred_from_structure": 0,
          "organism": "Homo sapiens",
          "pH": null,
          "pdb_id": "6UE6",
          "preparation_id": "PREP:MR837",
          "protein_id": "UP:O96028",
          "publication_year": 2021,
          "qualitative_result": null,
          "reference_id": "PMID:33522809",
          "remaining_uncertainty": "Full assay buffer, temperature and incubation metadata not transcribed; null means uncurated, not absent.",
          "replicates": null,
          "role": "experimentally_studied_ligand",
          "source_component_url": null,
          "source_database": "Primary literature (frozen Atlas)",
          "source_id": "S01",
          "source_measurement_key": "c836db439e09abccf4ee113af0c254beb168b73493a47ef4b57f21499a0c6459",
          "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:0001",
            "assay_type": "SPR Kd",
            "assay_value_transferred_to_modeled_stereoisomers": 0,
            "audit_decision": "retain_with_explicit_endpoint_and_identity",
            "baseline_assay_record": 1,
            "buffer": null,
            "ccd_id": "Q5D",
            "ccd_mapping_source": "Provenance/Literature/ligand_ccd_associations.json",
            "chemical_id": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N",
            "chemical_identity_status": "exact_single_CCD_identity",
            "component_context": null,
            "compound_name": "MR837 (3f)",
            "conditions": "{}",
            "crystallographic_component_ids": null,
            "domain": "PWWP1",
            "domain_id": "UP:O96028:PWWP1",
            "endpoint_label_status": null,
            "evidence_class": "direct_binding_affinity",
            "evidence_location": "Results; Figure 2",
            "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC8130708/",
            "gene": "NSD2",
            "interpretation": "Distinct condition from the lower-DMSO SPR measurement; do not average.",
            "molecular_entity_type": "small_molecule_preparation",
            "numeric_transcription_status": "matches_primary_report",
            "numeric_value_inferred_from_structure": 0,
            "pH": null,
            "pdb_id": "6UE6",
            "preparation_id": "PREP:MR837",
            "protein_id": "UP:O96028",
            "qualitative_result": null,
            "reference_id": "PMID:33522809",
            "remaining_uncertainty": "Full assay buffer, temperature and incubation metadata not transcribed; null means uncurated, not absent.",
            "replicates": null,
            "role": "experimentally_studied_ligand",
            "source_component_url": null,
            "source_id": "S01",
            "source_reported_uncertainty": "3",
            "source_reported_units": "µM",
            "source_reported_value": "7",
            "source_verification_scope": "primary_article_selected_indexed_full_text_passages; original figures and supplement not independently opened",
            "temperature_C": null,
            "uncertainty": 3.0,
            "uncertainty_type": null,
            "uncertainty_uM": 3.0,
            "unit_conversion": null,
            "units": "µM",
            "value": 7.0,
            "value_operator": "=",
            "value_uM": 7.0,
            "verification_level": "primary_full_text_sections_verified"
          },
          "source_reported_uncertainty": "3",
          "source_reported_units": "µM",
          "source_reported_value": "7",
          "source_verification_scope": "primary_article_selected_indexed_full_text_passages; original figures and supplement not independently opened",
          "target_scope": "domain_specific",
          "temperature_C": null,
          "uncertainty": 3.0,
          "uncertainty_type": null,
          "uncertainty_uM": 3.0,
          "unit_conversion": null,
          "units": "µM",
          "value": 7.0,
          "value_operator": "=",
          "value_uM": 7.0,
          "verification_level": "primary_full_text_sections_verified"
        },
        {
          "DMSO_percent": 0.5,
          "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:0002",
          "assay_type": "SPR Kd",
          "assay_value_transferred_to_modeled_stereoisomers": 0,
          "audit_decision": "retain_with_explicit_endpoint_and_identity",
          "baseline_assay_record": 1,
          "buffer": null,
          "ccd_id": "Q5D",
          "ccd_mapping_source": "Provenance/Literature/ligand_ccd_associations.json",
          "chemical_id": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N",
          "chemical_identity_status": "exact_single_CCD_identity",
          "component_context": null,
          "compound_id": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N",
          "compound_name": "MR837 (3f)",
          "conditions": "{\"DMSO_percent\": 0.5}",
          "crystallographic_component_ids": null,
          "curation_version": "frozen-v1.2",
          "domain": "PWWP1",
          "domain_id": "UP:O96028:PWWP1",
          "endpoint": "Kd",
          "endpoint_label_status": null,
          "evidence_class": "direct_binding_affinity",
          "evidence_location": "Results; Figure S6",
          "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC8130708/",
          "gene": "NSD2",
          "interpretation": "Lower-DMSO measurement; preserve assay conditions.",
          "is_measured": true,
          "is_negative": false,
          "method": "SPR",
          "molecular_entity_type": "small_molecule_preparation",
          "normalized_exact_uM": 3.4,
          "numeric_transcription_status": "matches_primary_report",
          "numeric_value_inferred_from_structure": 0,
          "organism": "Homo sapiens",
          "pH": null,
          "pdb_id": "6UE6",
          "preparation_id": "PREP:MR837",
          "protein_id": "UP:O96028",
          "publication_year": 2021,
          "qualitative_result": null,
          "reference_id": "PMID:33522809",
          "remaining_uncertainty": "Full assay buffer, temperature and incubation metadata not transcribed; null means uncurated, not absent.",
          "replicates": null,
          "role": "experimentally_studied_ligand",
          "source_component_url": null,
          "source_database": "Primary literature (frozen Atlas)",
          "source_id": "S01",
          "source_measurement_key": "435ca0c0d4b52ed142745eb1d6af7181325f0c136e7e674d5c103857af8a8209",
          "source_original": {
            "DMSO_percent": 0.5,
            "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:0002",
            "assay_type": "SPR Kd",
            "assay_value_transferred_to_modeled_stereoisomers": 0,
            "audit_decision": "retain_with_explicit_endpoint_and_identity",
            "baseline_assay_record": 1,
            "buffer": null,
            "ccd_id": "Q5D",
            "ccd_mapping_source": "Provenance/Literature/ligand_ccd_associations.json",
            "chemical_id": "INCHIKEY:WYAGGMZTARRIDX-UHFFFAOYSA-N",
            "chemical_identity_status": "exact_single_CCD_identity",
            "component_context": null,
            "compound_name": "MR837 (3f)",
            "conditions": "{\"DMSO_percent\": 0.5}",
            "crystallographic_component_ids": null,
            "domain": "PWWP1",
            "domain_id": "UP:O96028:PWWP1",
            "endpoint_label_status": null,
            "evidence_class": "direct_binding_affinity",
            "evidence_location": "Results; Figure S6",
            "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC8130708/",
            "gene": "NSD2",
            "interpretation": "Lower-DMSO measurement; preserve assay conditions.",
            "molecular_entity_type": "small_molecule_preparation",
            "numeric_transcription_status": "matches_primary_report",
            "numeric_value_inferred_from_structure": 0,
            "pH": null,
            "pdb_id": "6UE6",
            "preparation_id": "PREP:MR837",
            "protein_id": "UP:O96028",
            "qualitative_result": null,
            "reference_id": "PMID:33522809",
            "remaining_uncertainty": "Full assay buffer, temperature and incubation metadata not transcribed; null means uncurated, not absent.",
            "replicates": null,
            "role": "experimentally_studied_ligand",
            "source_component_url": null,
            "source_id": "S01",
            "source_reported_uncertainty": "0.4",
            "source_reported_units": "µM",
            "source_reported_value": "3.4",
            "source_verification_scope": "primary_article_selected_indexed_full_text_passages; original figures and supplement not independently opened",
            "temperature_C": null,
            "uncertainty": 0.4,
            "uncertainty_type": null,
            "uncertainty_uM": 0.4,
            "unit_conversion": null,
            "units": "µM",
            "value": 3.4,
            "value_operator": "=",
            "value_uM": 3.4,
            "verification_level": "primary_full_text_sections_verified"
          },
          "source_reported_uncertainty": "0.4",
          "source_reported_units": "µM",
          "source_reported_value": "3.4",
          "source_verification_scope": "primary_article_selected_indexed_full_text_passages; original figures and supplement not independently opened",
          "target_scope": "domain_specific",
          "temperature_C": null,
          "uncertainty": 0.4,
          "uncertainty_type": null,
          "uncertainty_uM": 0.4,
          "unit_conversion": null,
          "units": "µM",
          "value": 3.4,
          "value_operator": "=",
          "value_uM": 3.4,
          "verification_level": "primary_full_text_sections_verified"
        }
      ],
      "matched_assay_count": 2
    }
  ]
}