{"assembly_context":"asymmetric_unit_only","assessment_status":"calculated_observed_ligand_environment","broader_pfam_contacts_at_5A":2,"ccd_id":"9AE","contacting_residues_missing_sidechain_atoms":0,"contacts":[{"annotation_core":true,"canonical_position":231,"distance_angstrom":5.1375,"label_seq_id":26,"ligand_alt":null,"ligand_atom":"C12","ligand_auth_asym_id":"B","ligand_component":"9AE","ligand_label_asym_id":"I","ligand_occupancy":0.93,"missing_sidechain_atoms_conformer_consistent":[],"missing_sidechain_atoms_union":[],"model":1,"model_number":1,"pdb_id":"5NV2","protein_alt":null,"protein_atom":"O","protein_auth_asym_id":"B","protein_auth_seq_id":"231","protein_chain":"B","protein_component":"GLY","protein_insertion_code":null,"protein_occupancy":1.0,"quality_id":"5NV2:B:UP:Q9UBC3:PWWP1","region_type":"native_annotation_core","site_id":"PDB:5NV2:LIG:I:9AE:401:.:SITE:UP:Q9UBC3:PWWP1:B","source_coordinate_sha256":"90c69902789421dcb9c6982f74df193641fd6d84bf5163de125de814878ab7b1"},{"annotation_core":true,"canonical_position":232,"distance_angstrom":5.8011,"label_seq_id":27,"ligand_alt":null,"ligand_atom":"C12","ligand_auth_asym_id":"B","ligand_component":"9AE","ligand_label_asym_id":"I","ligand_occupancy":0.93,"missing_sidechain_atoms_conformer_consistent":[],"missing_sidechain_atoms_union":[],"model":1,"model_number":1,"pdb_id":"5NV2","protein_alt":null,"protein_atom":"C","protein_auth_asym_id":"B","protein_auth_seq_id":"232","protein_chain":"B","protein_component":"LYS","protein_insertion_code":null,"protein_occupancy":1.0,"quality_id":"5NV2:B:UP:Q9UBC3:PWWP1","region_type":"native_annotation_core","site_id":"PDB:5NV2:LIG:I:9AE:401:.:SITE:UP:Q9UBC3:PWWP1:B","source_coordinate_sha256":"90c69902789421dcb9c6982f74df193641fd6d84bf5163de125de814878ab7b1"},{"annotation_core":true,"canonical_position":233,"distance_angstrom":3.4548,"label_seq_id":28,"ligand_alt":null,"ligand_atom":"C11","ligand_auth_asym_id":"B","ligand_component":"9AE","ligand_label_asym_id":"I","ligand_occupancy":0.93,"missing_sidechain_atoms_conformer_consistent":[],"missing_sidechain_atoms_union":[],"model":1,"model_number":1,"pdb_id":"5NV2","protein_alt":null,"protein_atom":"CG1","protein_auth_asym_id":"B","protein_auth_seq_id":"233","protein_chain":"B","protein_component":"ILE","protein_insertion_code":null,"protein_occupancy":1.0,"quality_id":"5NV2:B:UP:Q9UBC3:PWWP1","region_type":"native_annotation_core","site_id":"PDB:5NV2:LIG:I:9AE:401:.:SITE:UP:Q9UBC3:PWWP1:B","source_coordinate_sha256":"90c69902789421dcb9c6982f74df193641fd6d84bf5163de125de814878ab7b1"},{"annotation_core":true,"canonical_position":236,"distance_angstrom":3.5795,"label_seq_id":31,"ligand_alt":null,"ligand_atom":"C12","ligand_auth_asym_id":"B","ligand_component":"9AE","ligand_label_asym_id":"I","ligand_occupancy":0.93,"missing_sidechain_atoms_conformer_consistent":[],"missing_sidechain_atoms_union":[],"model":1,"model_number":1,"pdb_id":"5NV2","protein_alt":null,"protein_atom":"CG","protein_auth_asym_id":"B","protein_auth_seq_id":"236","protein_chain":"B","protein_component":"PHE","protein_insertion_code":null,"protein_occupancy":1.0,"quality_id":"5NV2:B:UP:Q9UBC3:PWWP1","region_type":"native_annotation_core","site_id":"PDB:5NV2:LIG:I:9AE:401:.:SITE:UP:Q9UBC3:PWWP1:B","source_coordinate_sha256":"90c69902789421dcb9c6982f74df193641fd6d84bf5163de125de814878ab7b1"},{"annotation_core":true,"canonical_position":237,"distance_angstrom":4.5717,"label_seq_id":32,"ligand_alt":null,"ligand_atom":"C12","ligand_auth_asym_id":"B","ligand_component":"9AE","ligand_label_asym_id":"I","ligand_occupancy":0.93,"missing_sidechain_atoms_conformer_consistent":[],"missing_sidechain_atoms_union":[],"model":1,"model_number":1,"pdb_id":"5NV2","protein_alt":null,"protein_atom":"O","protein_auth_asym_id":"B","protein_auth_seq_id":"237","protein_chain":"B","protein_component":"SER","protein_insertion_code":null,"protein_occupancy":1.0,"quality_id":"5NV2:B:UP:Q9UBC3:PWWP1","region_type":"native_annotation_core","site_id":"PDB:5NV2:LIG:I:9AE:401:.:SITE:UP:Q9UBC3:PWWP1:B","source_coordinate_sha256":"90c69902789421dcb9c6982f74df193641fd6d84bf5163de125de814878ab7b1"},{"annotation_core":true,"canonical_position":239,"distance_angstrom":3.4739,"label_seq_id":34,"ligand_alt":null,"ligand_atom":"C12","ligand_auth_asym_id":"B","ligand_component":"9AE","ligand_label_asym_id":"I","ligand_occupancy":0.93,"missing_sidechain_atoms_conformer_consistent":[],"missing_sidechain_atoms_union":[],"model":1,"model_number":1,"pdb_id":"5NV2","protein_alt":"B","protein_atom":"CD1","protein_auth_asym_id":"B","protein_auth_seq_id":"239","protein_chain":"B","protein_component":"TRP","protein_insertion_code":null,"protein_occupancy":0.57,"quality_id":"5NV2:B:UP:Q9UBC3:PWWP1","region_type":"native_annotation_core","site_id":"PDB:5NV2:LIG:I:9AE:401:.:SITE:UP:Q9UBC3:PWWP1:B","source_coordinate_sha256":"90c69902789421dcb9c6982f74df193641fd6d84bf5163de125de814878ab7b1"},{"annotation_core":true,"canonical_position":263,"distance_angstrom":3.4609,"label_seq_id":58,"ligand_alt":null,"ligand_atom":"C9","ligand_auth_asym_id":"B","ligand_component":"9AE","ligand_label_asym_id":"I","ligand_occupancy":0.93,"missing_sidechain_atoms_conformer_consistent":[],"missing_sidechain_atoms_union":[],"model":1,"model_number":1,"pdb_id":"5NV2","protein_alt":null,"protein_atom":"CD1","protein_auth_asym_id":"B","protein_auth_seq_id":"263","protein_chain":"B","protein_component":"TRP","protein_insertion_code":null,"protein_occupancy":1.0,"quality_id":"5NV2:B:UP:Q9UBC3:PWWP1","region_type":"native_annotation_core","site_id":"PDB:5NV2:LIG:I:9AE:401:.:SITE:UP:Q9UBC3:PWWP1:B","source_coordinate_sha256":"90c69902789421dcb9c6982f74df193641fd6d84bf5163de125de814878ab7b1"},{"annotation_core":true,"canonical_position":264,"distance_angstrom":5.3375,"label_seq_id":59,"ligand_alt":null,"ligand_atom":"C4","ligand_auth_asym_id":"B","ligand_component":"9AE","ligand_label_asym_id":"I","ligand_occupancy":0.93,"missing_sidechain_atoms_conformer_consistent":[],"missing_sidechain_atoms_union":[],"model":1,"model_number":1,"pdb_id":"5NV2","protein_alt":null,"protein_atom":"O","protein_auth_asym_id":"B","protein_auth_seq_id":"264","protein_chain":"B","protein_component":"PHE","protein_insertion_code":null,"protein_occupancy":1.0,"quality_id":"5NV2:B:UP:Q9UBC3:PWWP1","region_type":"native_annotation_core","site_id":"PDB:5NV2:LIG:I:9AE:401:.:SITE:UP:Q9UBC3:PWWP1:B","source_coordinate_sha256":"90c69902789421dcb9c6982f74df193641fd6d84bf5163de125de814878ab7b1"},{"annotation_core":true,"canonical_position":265,"distance_angstrom":5.7596,"label_seq_id":60,"ligand_alt":null,"ligand_atom":"C7","ligand_auth_asym_id":"B","ligand_component":"9AE","ligand_label_asym_id":"I","ligand_occupancy":0.93,"missing_sidechain_atoms_conformer_consistent":[],"missing_sidechain_atoms_union":[],"model":1,"model_number":1,"pdb_id":"5NV2","protein_alt":null,"protein_atom":"C","protein_auth_asym_id":"B","protein_auth_seq_id":"265","protein_chain":"B","protein_component":"GLY","protein_insertion_code":null,"protein_occupancy":1.0,"quality_id":"5NV2:B:UP:Q9UBC3:PWWP1","region_type":"native_annotation_core","site_id":"PDB:5NV2:LIG:I:9AE:401:.:SITE:UP:Q9UBC3:PWWP1:B","source_coordinate_sha256":"90c69902789421dcb9c6982f74df193641fd6d84bf5163de125de814878ab7b1"},{"annotation_core":true,"canonical_position":266,"distance_angstrom":3.1299,"label_seq_id":61,"ligand_alt":null,"ligand_atom":"C9","ligand_auth_asym_id":"B","ligand_component":"9AE","ligand_label_asym_id":"I","ligand_occupancy":0.93,"missing_sidechain_atoms_conformer_consistent":[],"missing_sidechain_atoms_union":[],"model":1,"model_number":1,"pdb_id":"5NV2","protein_alt":null,"protein_atom":"OD2","protein_auth_asym_id":"B","protein_auth_seq_id":"266","protein_chain":"B","protein_component":"ASP","protein_insertion_code":null,"protein_occupancy":1.0,"quality_id":"5NV2:B:UP:Q9UBC3:PWWP1","region_type":"native_annotation_core","site_id":"PDB:5NV2:LIG:I:9AE:401:.:SITE:UP:Q9UBC3:PWWP1:B","source_coordinate_sha256":"90c69902789421dcb9c6982f74df193641fd6d84bf5163de125de814878ab7b1"},{"annotation_core":true,"canonical_position":268,"distance_angstrom":4.8808,"label_seq_id":63,"ligand_alt":null,"ligand_atom":"C9","ligand_auth_asym_id":"B","ligand_component":"9AE","ligand_label_asym_id":"I","ligand_occupancy":0.93,"missing_sidechain_atoms_conformer_consistent":[],"missing_sidechain_atoms_union":[],"model":1,"model_number":1,"pdb_id":"5NV2","protein_alt":null,"protein_atom":"CD","protein_auth_asym_id":"B","protein_auth_seq_id":"268","protein_chain":"B","protein_component":"LYS","protein_insertion_code":null,"protein_occupancy":1.0,"quality_id":"5NV2:B:UP:Q9UBC3:PWWP1","region_type":"native_annotation_core","site_id":"PDB:5NV2:LIG:I:9AE:401:.:SITE:UP:Q9UBC3:PWWP1:B","source_coordinate_sha256":"90c69902789421dcb9c6982f74df193641fd6d84bf5163de125de814878ab7b1"},{"annotation_core":true,"canonical_position":270,"distance_angstrom":4.7567,"label_seq_id":65,"ligand_alt":null,"ligand_atom":"C11","ligand_auth_asym_id":"B","ligand_component":"9AE","ligand_label_asym_id":"I","ligand_occupancy":0.93,"missing_sidechain_atoms_conformer_consistent":[],"missing_sidechain_atoms_union":[],"model":1,"model_number":1,"pdb_id":"5NV2","protein_alt":null,"protein_atom":"OG","protein_auth_asym_id":"B","protein_auth_seq_id":"270","protein_chain":"B","protein_component":"SER","protein_insertion_code":null,"protein_occupancy":1.0,"quality_id":"5NV2:B:UP:Q9UBC3:PWWP1","region_type":"native_annotation_core","site_id":"PDB:5NV2:LIG:I:9AE:401:.:SITE:UP:Q9UBC3:PWWP1:B","source_coordinate_sha256":"90c69902789421dcb9c6982f74df193641fd6d84bf5163de125de814878ab7b1"},{"annotation_core":false,"canonical_position":295,"distance_angstrom":4.9719,"label_seq_id":90,"ligand_alt":null,"ligand_atom":"C8","ligand_auth_asym_id":"B","ligand_component":"9AE","ligand_label_asym_id":"I","ligand_occupancy":0.93,"missing_sidechain_atoms_conformer_consistent":null,"missing_sidechain_atoms_union":null,"model":1,"model_number":1,"pdb_id":"5NV2","protein_alt":null,"protein_atom":"CD1","protein_auth_asym_id":"B","protein_auth_seq_id":"295","protein_chain":"B","protein_component":"LEU","protein_insertion_code":null,"protein_occupancy":1.0,"quality_id":"5NV2:B:UP:Q9UBC3:PWWP1","region_type":"broader_pfam_outside_annotation_core","site_id":"PDB:5NV2:LIG:I:9AE:401:.:SITE:UP:Q9UBC3:PWWP1:B","source_coordinate_sha256":"90c69902789421dcb9c6982f74df193641fd6d84bf5163de125de814878ab7b1"},{"annotation_core":false,"canonical_position":297,"distance_angstrom":3.1595,"label_seq_id":92,"ligand_alt":null,"ligand_atom":"C8","ligand_auth_asym_id":"B","ligand_component":"9AE","ligand_label_asym_id":"I","ligand_occupancy":0.93,"missing_sidechain_atoms_conformer_consistent":null,"missing_sidechain_atoms_union":null,"model":1,"model_number":1,"pdb_id":"5NV2","protein_alt":null,"protein_atom":"OG","protein_auth_asym_id":"B","protein_auth_seq_id":"297","protein_chain":"B","protein_component":"SER","protein_insertion_code":null,"protein_occupancy":1.0,"quality_id":"5NV2:B:UP:Q9UBC3:PWWP1","region_type":"broader_pfam_outside_annotation_core","site_id":"PDB:5NV2:LIG:I:9AE:401:.:SITE:UP:Q9UBC3:PWWP1:B","source_coordinate_sha256":"90c69902789421dcb9c6982f74df193641fd6d84bf5163de125de814878ab7b1"}],"contacts_at_6A":14,"core_contacts_at_5A":8,"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:5NV2:LIG:I:9AE:401:.","ligand_label_asym_id":"I","minimum_core_distance_angstrom":3.1299,"model":1,"pdb_id":"5NV2","protein_label_asym_id":"B","quality_id":"5NV2:B:UP:Q9UBC3:PWWP1","site_id":"PDB:5NV2:LIG:I:9AE:401:.:SITE:UP:Q9UBC3:PWWP1:B","source_component_is_unmodified_parent":null,"source_coordinate_sha256":"90c69902789421dcb9c6982f74df193641fd6d84bf5163de125de814878ab7b1","source_role":"research_ligand","warnings":["partial_occupancy_contact_atoms","representative_alt_conformers_selected"]}