{"assay_preparations":[{"chemical_id":"INCHIKEY:LKKNQJJSEMQTHQ-UHFFFAOYSA-N","entity_type":"small_molecule_preparation","exact_ccd_id":"A1D73","identity_note":"Complete deposited identity retained; no connectivity-only or name-only merge.","identity_status":"exact_single_CCD_identity","modeled_candidate_ccd_ids":"[]","modeled_candidate_chemical_ids":"[]","name":"BPP","preparation_id":"PREP:BPP","role":"assay_preparation","sequence_if_defined":null},{"chemical_id":null,"entity_type":"modified_histone_peptide","exact_ccd_id":null,"identity_note":"M3L is one covalently linked residue, not the assayed peptide chemical identity.","identity_status":"defined_modified_peptide_sequence_not_monomer_identity","modeled_candidate_ccd_ids":"[]","modeled_candidate_chemical_ids":"[]","name":"H4K20me3 peptide / trimethyllysine monomer","preparation_id":"PREP:H4K20me3_11mer","role":"histone_peptide","sequence_if_defined":"AKRHRK(me3)VLRDN"},{"chemical_id":null,"entity_type":"nanobody","exact_ccd_id":null,"identity_note":"Complete deposited identity retained; no connectivity-only or name-only merge.","identity_status":"named_macromolecule_no_full_sequence_identity","modeled_candidate_ccd_ids":"[]","modeled_candidate_chemical_ids":"[]","name":"NbH10","preparation_id":"PREP:NbH10","role":"assay_preparation","sequence_if_defined":null},{"chemical_id":"INCHIKEY:JQSHBVHOMNKWFT-DTORHVGOSA-N","entity_type":"small_molecule_preparation","exact_ccd_id":"QMR","identity_note":"Complete deposited identity retained; no connectivity-only or name-only merge.","identity_status":"exact_single_CCD_identity","modeled_candidate_ccd_ids":"[]","modeled_candidate_chemical_ids":"[]","name":"varenicline","preparation_id":"PREP:VARENICLINE","role":"assay_preparation","sequence_if_defined":null}],"assays_without_exact_contact_link":[{"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":"PWWP11:ASSAY:0010","assay_type":"Fluorescence polarization binding","assay_value_transferred_to_modeled_stereoisomers":0,"audit_decision":null,"baseline_assay_record":0,"buffer":null,"ccd_id":null,"ccd_mapping_source":null,"chemical_id":null,"chemical_identity_status":"defined_modified_peptide_sequence_not_monomer_identity","component_context":null,"compound_name":"H4K20me3 peptide / trimethyllysine monomer","conditions":"{\"sequence\": \"AKRHRK(me3)VLRDN\"}","crystallographic_component_ids":null,"domain":"PWWP1","domain_id":"UP:Q7Z4V5:PWWP1","endpoint_label_status":null,"evidence_class":"qualitative_weak_binding","evidence_location":"Table 1 H4K20me3 / HDGF2 cell and footnote","evidence_url":"https://pmc.ncbi.nlm.nih.gov/articles/PMC3119473/","gene":"HDGFL2","interpretation":"Solution binding cannot be quantified from this record; structural occupancy separately linked to 3QBY.","molecular_entity_type":"modified_histone_peptide","numeric_transcription_status":"null_preserved_for_unfittable_binding","numeric_value_inferred_from_structure":null,"pH":null,"pdb_id":"3QBY","preparation_id":"PREP:H4K20me3_11mer","protein_id":"UP:Q7Z4V5","qualitative_result":"Very weak; too weak to fit reliably","reference_id":"PMID:21720545","remaining_uncertainty":null,"replicates":null,"role":"histone_peptide_assay","source_component_url":null,"source_id":"S07","source_reported_uncertainty":null,"source_reported_units":null,"source_reported_value":null,"source_verification_scope":"local_primary_full_text_XML_table_verified","temperature_C":null,"uncertainty":null,"uncertainty_type":null,"uncertainty_uM":null,"unit_conversion":null,"units":null,"value":null,"value_operator":null,"value_uM":null,"verification_level":null},{"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:0036","assay_type":"X-ray structural association; no pharmacological activity assigned","assay_value_transferred_to_modeled_stereoisomers":0,"audit_decision":"separate_whole_peptide_preparation_from_M3L_monomer","baseline_assay_record":1,"buffer":null,"ccd_id":"M3L","ccd_mapping_source":null,"chemical_id":null,"chemical_identity_status":"defined_modified_peptide_sequence_not_monomer_identity","component_context":"nonstandard_polymer_monomer","compound_name":"H4K20me3 peptide / trimethyllysine monomer","conditions":"{}","crystallographic_component_ids":null,"domain":"PWWP","domain_id":"UP:Q7Z4V5:PWWP1","endpoint_label_status":null,"evidence_class":"structural_occupancy_association","evidence_location":"Table 2; RCSB polymer entity 2","evidence_url":"https://pmc.ncbi.nlm.nih.gov/articles/PMC3119473/","gene":"HDGFL2","interpretation":"Chain H is an 11-residue H4K20me3 peptide AKRHR(M3L)VLRDN. M3L is a modified polymer monomer, not a free drug. The modeled subset must be distinguished from the full deposited peptide.","molecular_entity_type":"modified_histone_peptide","numeric_transcription_status":"not_a_quantitative_affinity_record","numeric_value_inferred_from_structure":0,"pH":null,"pdb_id":"3QBY","preparation_id":"PREP:H4K20me3_11mer","protein_id":"UP:Q7Z4V5","qualitative_result":null,"reference_id":"PMID:21720545","remaining_uncertainty":"M3L has a polymer residue identity. 3QBY structural occupancy coexists with very weak unfittable solution affinity in Table 1.","replicates":null,"role":"histone methyllysine surrogate/partially resolved peptide","source_component_url":"https://data.rcsb.org/rest/v1/core/polymer_entity/3QBY/2","source_id":"S07","source_reported_uncertainty":null,"source_reported_units":null,"source_reported_value":null,"source_verification_scope":"local_primary_full_text_XML; Tables 1-2, crystallization methods and ligand Results inspected","temperature_C":null,"uncertainty":null,"uncertainty_type":null,"uncertainty_uM":null,"unit_conversion":null,"units":null,"value":null,"value_operator":null,"value_uM":null,"verification_level":"primary_full_text_sections_verified"},{"DMSO_percent":null,"abstract_reported_endpoint":null,"abstract_reported_method":null,"abstract_reported_units":null,"abstract_reported_value":null,"assay_construct_end":93,"assay_construct_start":1,"assay_record_id":"PWWP11:ASSAY:0009","assay_type":"SPR apparent Kd","assay_value_transferred_to_modeled_stereoisomers":0,"audit_decision":null,"baseline_assay_record":0,"buffer":"50 mM Tris-HCl, 150 mM NaCl, 0.05% Tween 20","ccd_id":null,"ccd_mapping_source":null,"chemical_id":null,"chemical_identity_status":"named_macromolecule_no_full_sequence_identity","component_context":null,"compound_name":"NbH10","conditions":"{\"protein_construct\": \"HDGFL2 1\u201393\", \"replicates\": 3, \"uncertainty_type\": \"SD\"}","crystallographic_component_ids":null,"domain":"PWWP1","domain_id":"UP:Q7Z4V5:PWWP1","endpoint_label_status":null,"evidence_class":"direct_binding_affinity","evidence_location":"Table 1 NbH10 column; SPR methods","evidence_url":"https://pmc.ncbi.nlm.nih.gov/articles/PMC13204740/","gene":"HDGFL2","interpretation":"Apparent SPR affinity of a nanobody; not a small molecule or a solved nanobody\u2013PWWP complex.","molecular_entity_type":"nanobody","numeric_transcription_status":"matches_primary_table","numeric_value_inferred_from_structure":null,"pH":7.4,"pdb_id":null,"preparation_id":"PREP:NbH10","protein_id":"UP:Q7Z4V5","qualitative_result":null,"reference_id":"PMID:42194065","remaining_uncertainty":null,"replicates":"3","role":"macromolecular_binder","source_component_url":null,"source_id":"S06","source_reported_uncertainty":null,"source_reported_units":null,"source_reported_value":null,"source_verification_scope":"local_primary_full_text_XML_table_and_methods_verified","temperature_C":25,"uncertainty":1.8,"uncertainty_type":"SD","uncertainty_uM":0.0018,"unit_conversion":null,"units":"nM","value":81.2,"value_operator":"=","value_uM":0.0812,"verification_level":null}],"interpretation":"Exact links require chemical identity and the same native target/domain. An assay value remains attached to its measured construct and preparation. Unresolved and negative observations remain available without an exact-contact link.","protein":{"aliases":"[\"HDGF-2\",\"HDGF2\",\"HDGFRP2\",\"HRP2\",\"Hepatoma-derived growth factor 2\"]","attribution":"UniProt, CC BY 4.0","gene":"HDGFL2","length":671,"membership_tier":"annotation_supported","name":"Hepatoma-derived growth factor-related protein 2","organism":"Homo sapiens","protein_existence_caution":null,"protein_id":"UP:Q7Z4V5","sequence":"MPHAFKPGDLVFAKMKGYPHWPARIDDIADGAVKPPPNKYPIFFFGTHETAFLGPKDLFPYDKCKDKYGKPNKRKGFNEGLWEIQNNPHASYSAPPPVSSSDSEAPEANPADGSDADEDDEDRGVMAVTAVTATAASDRMESDSDSDKSSDNSGLKRKTPALKMSVSKRARKASSDLDQASVSPSEEENSESSSESEKTSDQDFTPEKKAAVRAPRRGPLGGRKKKKAPSASDSDSKADSDGAKPEPVAMARSASSSSSSSSSSDSDVSVKKPPRGRKPAEKPLPKPRGRKPKPERPPSSSSSDSDSDEVDRISEWKRRDEARRRELEARRRREQEEELRRLREQEKEEKERRRERADRGEAERGSGGSSGDELREDDEPVKKRGRKGRGRGPPSSSDSEPEAELEREAKKSAKKPQSSSTEPARKPGQKEKRVRPEEKQQAKPVKVERTRKRSEGFSMDRKVEKKKEPSVEEKLQKLHSEIKFALKVDSPDVKRCLNALEELGTLQVTSQILQKNTDVVATLKKIRRYKANKDVMEKAAEVYTRLKSRVLGPKIEAVQKVNKAGMEKEKAEEKLAGEELAGEEAPQEKAEDKPSTDLSAPVNGEATSQKGESAEDKEHEEGRDSEEGPRCGSSEDLHDSVREGPDLDRPGSDRQERERARGDSEALDEES","sequence_sha256":"0632d425ca63a49d9bb1a592942716de7601d7d9a11afb83949548c534b779dd","source_url":"https://www.uniprot.org/uniprotkb/Q7Z4V5","taxonomy_id":"9606","uniprot":"Q7Z4V5"},"structure_contact_assay_links":[{"assay_construct_end":93,"assay_construct_start":1,"assay_evidence_class":"direct_binding_affinity","assay_record_id":"PWWP:ASSAY:0011","assay_type":"NMR chemical-shift perturbation Kd","ccd_id":"A1D73","chain_id":"PDB:8Z6C:CHAIN:A:UP:Q7Z4V5","chemical_id":"INCHIKEY:LKKNQJJSEMQTHQ-UHFFFAOYSA-N","compound_name":"BPP","contact_class":"native_annotation_core_contact","contact_distance_rank":1,"domain_id":"UP:Q7Z4V5:PWWP1","evidence_url":"https://febs.onlinelibrary.wiley.com/doi/10.1002/1873-3468.14981","ligand_instance_id":"PDB:8Z6C:LIG:D:A1D73:101:.","link_semantics":"same exact chemical identity and native domain; 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