{"assembly_context":"asymmetric_unit_only","assessment_status":"calculated_observed_ligand_environment","broader_pfam_contacts_at_5A":2,"ccd_id":"A1H7Y","contacting_residues_missing_sidechain_atoms":0,"contacts":[{"annotation_core":true,"canonical_position":228,"distance_angstrom":5.7895,"label_seq_id":25,"ligand_alt":null,"ligand_atom":"C9","ligand_auth_asym_id":"B","ligand_component":"A1H7Y","ligand_label_asym_id":"K","ligand_occupancy":1.0,"missing_sidechain_atoms_conformer_consistent":[],"missing_sidechain_atoms_union":[],"model":1,"model_number":1,"pdb_id":"9EXX","protein_alt":null,"protein_atom":"O","protein_auth_asym_id":"B","protein_auth_seq_id":"228","protein_chain":"B","protein_component":"SER","protein_insertion_code":null,"protein_occupancy":1.0,"quality_id":"9EXX:B:UP:O96028:PWWP1","region_type":"native_annotation_core","site_id":"PDB:9EXX:LIG:K:A1H7Y:406:.:SITE:UP:O96028:PWWP1:B","source_coordinate_sha256":"4ef651cb3bade2458fffbd850521dfbd402b610696c1497284792c0f1355d126"},{"annotation_core":true,"canonical_position":230,"distance_angstrom":3.6183,"label_seq_id":27,"ligand_alt":null,"ligand_atom":"C8","ligand_auth_asym_id":"B","ligand_component":"A1H7Y","ligand_label_asym_id":"K","ligand_occupancy":1.0,"missing_sidechain_atoms_conformer_consistent":[],"missing_sidechain_atoms_union":[],"model":1,"model_number":1,"pdb_id":"9EXX","protein_alt":null,"protein_atom":"CG2","protein_auth_asym_id":"B","protein_auth_seq_id":"230","protein_chain":"B","protein_component":"VAL","protein_insertion_code":null,"protein_occupancy":1.0,"quality_id":"9EXX:B:UP:O96028:PWWP1","region_type":"native_annotation_core","site_id":"PDB:9EXX:LIG:K:A1H7Y:406:.:SITE:UP:O96028:PWWP1:B","source_coordinate_sha256":"4ef651cb3bade2458fffbd850521dfbd402b610696c1497284792c0f1355d126"},{"annotation_core":true,"canonical_position":233,"distance_angstrom":3.1573,"label_seq_id":30,"ligand_alt":null,"ligand_atom":"C25","ligand_auth_asym_id":"B","ligand_component":"A1H7Y","ligand_label_asym_id":"K","ligand_occupancy":1.0,"missing_sidechain_atoms_conformer_consistent":[],"missing_sidechain_atoms_union":[],"model":1,"model_number":1,"pdb_id":"9EXX","protein_alt":null,"protein_atom":"OH","protein_auth_asym_id":"B","protein_auth_seq_id":"233","protein_chain":"B","protein_component":"TYR","protein_insertion_code":null,"protein_occupancy":1.0,"quality_id":"9EXX:B:UP:O96028:PWWP1","region_type":"native_annotation_core","site_id":"PDB:9EXX:LIG:K:A1H7Y:406:.:SITE:UP:O96028:PWWP1:B","source_coordinate_sha256":"4ef651cb3bade2458fffbd850521dfbd402b610696c1497284792c0f1355d126"},{"annotation_core":true,"canonical_position":234,"distance_angstrom":4.7491,"label_seq_id":31,"ligand_alt":null,"ligand_atom":"C9","ligand_auth_asym_id":"B","ligand_component":"A1H7Y","ligand_label_asym_id":"K","ligand_occupancy":1.0,"missing_sidechain_atoms_conformer_consistent":[],"missing_sidechain_atoms_union":[],"model":1,"model_number":1,"pdb_id":"9EXX","protein_alt":null,"protein_atom":"O","protein_auth_asym_id":"B","protein_auth_seq_id":"234","protein_chain":"B","protein_component":"PRO","protein_insertion_code":null,"protein_occupancy":1.0,"quality_id":"9EXX:B:UP:O96028:PWWP1","region_type":"native_annotation_core","site_id":"PDB:9EXX:LIG:K:A1H7Y:406:.:SITE:UP:O96028:PWWP1:B","source_coordinate_sha256":"4ef651cb3bade2458fffbd850521dfbd402b610696c1497284792c0f1355d126"},{"annotation_core":true,"canonical_position":236,"distance_angstrom":3.5462,"label_seq_id":33,"ligand_alt":null,"ligand_atom":"C14","ligand_auth_asym_id":"B","ligand_component":"A1H7Y","ligand_label_asym_id":"K","ligand_occupancy":1.0,"missing_sidechain_atoms_conformer_consistent":[],"missing_sidechain_atoms_union":[],"model":1,"model_number":1,"pdb_id":"9EXX","protein_alt":null,"protein_atom":"CZ2","protein_auth_asym_id":"B","protein_auth_seq_id":"236","protein_chain":"B","protein_component":"TRP","protein_insertion_code":null,"protein_occupancy":1.0,"quality_id":"9EXX:B:UP:O96028:PWWP1","region_type":"native_annotation_core","site_id":"PDB:9EXX:LIG:K:A1H7Y:406:.:SITE:UP:O96028:PWWP1:B","source_coordinate_sha256":"4ef651cb3bade2458fffbd850521dfbd402b610696c1497284792c0f1355d126"},{"annotation_core":true,"canonical_position":266,"distance_angstrom":3.2669,"label_seq_id":63,"ligand_alt":null,"ligand_atom":"O1","ligand_auth_asym_id":"B","ligand_component":"A1H7Y","ligand_label_asym_id":"K","ligand_occupancy":1.0,"missing_sidechain_atoms_conformer_consistent":[],"missing_sidechain_atoms_union":[],"model":1,"model_number":1,"pdb_id":"9EXX","protein_alt":null,"protein_atom":"CB","protein_auth_asym_id":"B","protein_auth_seq_id":"266","protein_chain":"B","protein_component":"PHE","protein_insertion_code":null,"protein_occupancy":1.0,"quality_id":"9EXX:B:UP:O96028:PWWP1","region_type":"native_annotation_core","site_id":"PDB:9EXX:LIG:K:A1H7Y:406:.:SITE:UP:O96028:PWWP1:B","source_coordinate_sha256":"4ef651cb3bade2458fffbd850521dfbd402b610696c1497284792c0f1355d126"},{"annotation_core":true,"canonical_position":267,"distance_angstrom":3.2996,"label_seq_id":64,"ligand_alt":null,"ligand_atom":"C16","ligand_auth_asym_id":"B","ligand_component":"A1H7Y","ligand_label_asym_id":"K","ligand_occupancy":1.0,"missing_sidechain_atoms_conformer_consistent":[],"missing_sidechain_atoms_union":[],"model":1,"model_number":1,"pdb_id":"9EXX","protein_alt":null,"protein_atom":"O","protein_auth_asym_id":"B","protein_auth_seq_id":"267","protein_chain":"B","protein_component":"PHE","protein_insertion_code":null,"protein_occupancy":1.0,"quality_id":"9EXX:B:UP:O96028:PWWP1","region_type":"native_annotation_core","site_id":"PDB:9EXX:LIG:K:A1H7Y:406:.:SITE:UP:O96028:PWWP1:B","source_coordinate_sha256":"4ef651cb3bade2458fffbd850521dfbd402b610696c1497284792c0f1355d126"},{"annotation_core":true,"canonical_position":268,"distance_angstrom":3.4135,"label_seq_id":65,"ligand_alt":null,"ligand_atom":"O","ligand_auth_asym_id":"B","ligand_component":"A1H7Y","ligand_label_asym_id":"K","ligand_occupancy":1.0,"missing_sidechain_atoms_conformer_consistent":[],"missing_sidechain_atoms_union":[],"model":1,"model_number":1,"pdb_id":"9EXX","protein_alt":null,"protein_atom":"CA","protein_auth_asym_id":"B","protein_auth_seq_id":"268","protein_chain":"B","protein_component":"GLY","protein_insertion_code":null,"protein_occupancy":1.0,"quality_id":"9EXX:B:UP:O96028:PWWP1","region_type":"native_annotation_core","site_id":"PDB:9EXX:LIG:K:A1H7Y:406:.:SITE:UP:O96028:PWWP1:B","source_coordinate_sha256":"4ef651cb3bade2458fffbd850521dfbd402b610696c1497284792c0f1355d126"},{"annotation_core":true,"canonical_position":269,"distance_angstrom":3.4094,"label_seq_id":66,"ligand_alt":null,"ligand_atom":"O","ligand_auth_asym_id":"B","ligand_component":"A1H7Y","ligand_label_asym_id":"K","ligand_occupancy":1.0,"missing_sidechain_atoms_conformer_consistent":[],"missing_sidechain_atoms_union":[],"model":1,"model_number":1,"pdb_id":"9EXX","protein_alt":null,"protein_atom":"N","protein_auth_asym_id":"B","protein_auth_seq_id":"269","protein_chain":"B","protein_component":"ASP","protein_insertion_code":null,"protein_occupancy":1.0,"quality_id":"9EXX:B:UP:O96028:PWWP1","region_type":"native_annotation_core","site_id":"PDB:9EXX:LIG:K:A1H7Y:406:.:SITE:UP:O96028:PWWP1:B","source_coordinate_sha256":"4ef651cb3bade2458fffbd850521dfbd402b610696c1497284792c0f1355d126"},{"annotation_core":true,"canonical_position":270,"distance_angstrom":2.8869,"label_seq_id":67,"ligand_alt":null,"ligand_atom":"O","ligand_auth_asym_id":"B","ligand_component":"A1H7Y","ligand_label_asym_id":"K","ligand_occupancy":1.0,"missing_sidechain_atoms_conformer_consistent":[],"missing_sidechain_atoms_union":[],"model":1,"model_number":1,"pdb_id":"9EXX","protein_alt":null,"protein_atom":"N","protein_auth_asym_id":"B","protein_auth_seq_id":"270","protein_chain":"B","protein_component":"ALA","protein_insertion_code":null,"protein_occupancy":1.0,"quality_id":"9EXX:B:UP:O96028:PWWP1","region_type":"native_annotation_core","site_id":"PDB:9EXX:LIG:K:A1H7Y:406:.:SITE:UP:O96028:PWWP1:B","source_coordinate_sha256":"4ef651cb3bade2458fffbd850521dfbd402b610696c1497284792c0f1355d126"},{"annotation_core":true,"canonical_position":271,"distance_angstrom":4.3837,"label_seq_id":68,"ligand_alt":null,"ligand_atom":"C16","ligand_auth_asym_id":"B","ligand_component":"A1H7Y","ligand_label_asym_id":"K","ligand_occupancy":1.0,"missing_sidechain_atoms_conformer_consistent":[],"missing_sidechain_atoms_union":[],"model":1,"model_number":1,"pdb_id":"9EXX","protein_alt":null,"protein_atom":"CA","protein_auth_asym_id":"B","protein_auth_seq_id":"271","protein_chain":"B","protein_component":"PRO","protein_insertion_code":null,"protein_occupancy":1.0,"quality_id":"9EXX:B:UP:O96028:PWWP1","region_type":"native_annotation_core","site_id":"PDB:9EXX:LIG:K:A1H7Y:406:.:SITE:UP:O96028:PWWP1:B","source_coordinate_sha256":"4ef651cb3bade2458fffbd850521dfbd402b610696c1497284792c0f1355d126"},{"annotation_core":true,"canonical_position":272,"distance_angstrom":3.4281,"label_seq_id":69,"ligand_alt":null,"ligand_atom":"C3","ligand_auth_asym_id":"B","ligand_component":"A1H7Y","ligand_label_asym_id":"K","ligand_occupancy":1.0,"missing_sidechain_atoms_conformer_consistent":[],"missing_sidechain_atoms_union":[],"model":1,"model_number":1,"pdb_id":"9EXX","protein_alt":null,"protein_atom":"OE2","protein_auth_asym_id":"B","protein_auth_seq_id":"272","protein_chain":"B","protein_component":"GLU","protein_insertion_code":null,"protein_occupancy":1.0,"quality_id":"9EXX:B:UP:O96028:PWWP1","region_type":"native_annotation_core","site_id":"PDB:9EXX:LIG:K:A1H7Y:406:.:SITE:UP:O96028:PWWP1:B","source_coordinate_sha256":"4ef651cb3bade2458fffbd850521dfbd402b610696c1497284792c0f1355d126"},{"annotation_core":true,"canonical_position":273,"distance_angstrom":3.4454,"label_seq_id":70,"ligand_alt":null,"ligand_atom":"C","ligand_auth_asym_id":"B","ligand_component":"A1H7Y","ligand_label_asym_id":"K","ligand_occupancy":1.0,"missing_sidechain_atoms_conformer_consistent":[],"missing_sidechain_atoms_union":[],"model":1,"model_number":1,"pdb_id":"9EXX","protein_alt":null,"protein_atom":"O","protein_auth_asym_id":"B","protein_auth_seq_id":"273","protein_chain":"B","protein_component":"ARG","protein_insertion_code":null,"protein_occupancy":1.0,"quality_id":"9EXX:B:UP:O96028:PWWP1","region_type":"native_annotation_core","site_id":"PDB:9EXX:LIG:K:A1H7Y:406:.:SITE:UP:O96028:PWWP1:B","source_coordinate_sha256":"4ef651cb3bade2458fffbd850521dfbd402b610696c1497284792c0f1355d126"},{"annotation_core":true,"canonical_position":274,"distance_angstrom":3.8421,"label_seq_id":71,"ligand_alt":null,"ligand_atom":"C","ligand_auth_asym_id":"B","ligand_component":"A1H7Y","ligand_label_asym_id":"K","ligand_occupancy":1.0,"missing_sidechain_atoms_conformer_consistent":[],"missing_sidechain_atoms_union":[],"model":1,"model_number":1,"pdb_id":"9EXX","protein_alt":null,"protein_atom":"CB","protein_auth_asym_id":"B","protein_auth_seq_id":"274","protein_chain":"B","protein_component":"ALA","protein_insertion_code":null,"protein_occupancy":1.0,"quality_id":"9EXX:B:UP:O96028:PWWP1","region_type":"native_annotation_core","site_id":"PDB:9EXX:LIG:K:A1H7Y:406:.:SITE:UP:O96028:PWWP1:B","source_coordinate_sha256":"4ef651cb3bade2458fffbd850521dfbd402b610696c1497284792c0f1355d126"},{"annotation_core":false,"canonical_position":318,"distance_angstrom":3.8861,"label_seq_id":115,"ligand_alt":null,"ligand_atom":"C13","ligand_auth_asym_id":"B","ligand_component":"A1H7Y","ligand_label_asym_id":"K","ligand_occupancy":1.0,"missing_sidechain_atoms_conformer_consistent":null,"missing_sidechain_atoms_union":null,"model":1,"model_number":1,"pdb_id":"9EXX","protein_alt":null,"protein_atom":"CD1","protein_auth_asym_id":"B","protein_auth_seq_id":"318","protein_chain":"B","protein_component":"LEU","protein_insertion_code":null,"protein_occupancy":1.0,"quality_id":"9EXX:B:UP:O96028:PWWP1","region_type":"broader_pfam_outside_annotation_core","site_id":"PDB:9EXX:LIG:K:A1H7Y:406:.:SITE:UP:O96028:PWWP1:B","source_coordinate_sha256":"4ef651cb3bade2458fffbd850521dfbd402b610696c1497284792c0f1355d126"},{"annotation_core":false,"canonical_position":321,"distance_angstrom":2.9911,"label_seq_id":118,"ligand_alt":null,"ligand_atom":"N2","ligand_auth_asym_id":"B","ligand_component":"A1H7Y","ligand_label_asym_id":"K","ligand_occupancy":1.0,"missing_sidechain_atoms_conformer_consistent":null,"missing_sidechain_atoms_union":null,"model":1,"model_number":1,"pdb_id":"9EXX","protein_alt":null,"protein_atom":"OE1","protein_auth_asym_id":"B","protein_auth_seq_id":"321","protein_chain":"B","protein_component":"GLN","protein_insertion_code":null,"protein_occupancy":1.0,"quality_id":"9EXX:B:UP:O96028:PWWP1","region_type":"broader_pfam_outside_annotation_core","site_id":"PDB:9EXX:LIG:K:A1H7Y:406:.:SITE:UP:O96028:PWWP1:B","source_coordinate_sha256":"4ef651cb3bade2458fffbd850521dfbd402b610696c1497284792c0f1355d126"}],"contacts_at_6A":16,"core_contacts_at_5A":13,"interpretation":"Observed source classified geometry, representative consistent alt state; distances do not imply favorable interaction or validated electron density.","ligand_alternate_conformers":[],"ligand_instance_id":"PDB:9EXX:LIG:K:A1H7Y:406:.","ligand_label_asym_id":"K","minimum_core_distance_angstrom":2.8869,"model":1,"pdb_id":"9EXX","protein_label_asym_id":"B","quality_id":"9EXX:B:UP:O96028:PWWP1","site_id":"PDB:9EXX:LIG:K:A1H7Y:406:.:SITE:UP:O96028:PWWP1:B","source_component_is_unmodified_parent":null,"source_coordinate_sha256":"4ef651cb3bade2458fffbd850521dfbd402b610696c1497284792c0f1355d126","source_role":"research_ligand","warnings":[]}