{"assembly_context":"asymmetric_unit_only","assessment_status":"calculated_observed_ligand_environment","broader_pfam_contacts_at_5A":2,"ccd_id":"96E","contacting_residues_missing_sidechain_atoms":0,"contacts":[{"annotation_core":true,"canonical_position":231,"distance_angstrom":4.9108,"label_seq_id":26,"ligand_alt":null,"ligand_atom":"C07","ligand_auth_asym_id":"B","ligand_component":"96E","ligand_label_asym_id":"G","ligand_occupancy":0.82,"missing_sidechain_atoms_conformer_consistent":[],"missing_sidechain_atoms_union":[],"model":1,"model_number":1,"pdb_id":"5NRR","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":"5NRR:B:UP:Q9UBC3:PWWP1","region_type":"native_annotation_core","site_id":"PDB:5NRR:LIG:G:96E:401:.:SITE:UP:Q9UBC3:PWWP1:B","source_coordinate_sha256":"ab09d824a29b987279f6178899a03ddb8e496509769ce2e3558b670c6826e1e0"},{"annotation_core":true,"canonical_position":232,"distance_angstrom":5.513,"label_seq_id":27,"ligand_alt":null,"ligand_atom":"C07","ligand_auth_asym_id":"B","ligand_component":"96E","ligand_label_asym_id":"G","ligand_occupancy":0.82,"missing_sidechain_atoms_conformer_consistent":[],"missing_sidechain_atoms_union":[],"model":1,"model_number":1,"pdb_id":"5NRR","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":"5NRR:B:UP:Q9UBC3:PWWP1","region_type":"native_annotation_core","site_id":"PDB:5NRR:LIG:G:96E:401:.:SITE:UP:Q9UBC3:PWWP1:B","source_coordinate_sha256":"ab09d824a29b987279f6178899a03ddb8e496509769ce2e3558b670c6826e1e0"},{"annotation_core":true,"canonical_position":233,"distance_angstrom":3.5947,"label_seq_id":28,"ligand_alt":null,"ligand_atom":"C07","ligand_auth_asym_id":"B","ligand_component":"96E","ligand_label_asym_id":"G","ligand_occupancy":0.82,"missing_sidechain_atoms_conformer_consistent":[],"missing_sidechain_atoms_union":[],"model":1,"model_number":1,"pdb_id":"5NRR","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":"5NRR:B:UP:Q9UBC3:PWWP1","region_type":"native_annotation_core","site_id":"PDB:5NRR:LIG:G:96E:401:.:SITE:UP:Q9UBC3:PWWP1:B","source_coordinate_sha256":"ab09d824a29b987279f6178899a03ddb8e496509769ce2e3558b670c6826e1e0"},{"annotation_core":true,"canonical_position":236,"distance_angstrom":3.85,"label_seq_id":31,"ligand_alt":null,"ligand_atom":"C06","ligand_auth_asym_id":"B","ligand_component":"96E","ligand_label_asym_id":"G","ligand_occupancy":0.82,"missing_sidechain_atoms_conformer_consistent":[],"missing_sidechain_atoms_union":[],"model":1,"model_number":1,"pdb_id":"5NRR","protein_alt":null,"protein_atom":"CD1","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":"5NRR:B:UP:Q9UBC3:PWWP1","region_type":"native_annotation_core","site_id":"PDB:5NRR:LIG:G:96E:401:.:SITE:UP:Q9UBC3:PWWP1:B","source_coordinate_sha256":"ab09d824a29b987279f6178899a03ddb8e496509769ce2e3558b670c6826e1e0"},{"annotation_core":true,"canonical_position":237,"distance_angstrom":5.0072,"label_seq_id":32,"ligand_alt":null,"ligand_atom":"C07","ligand_auth_asym_id":"B","ligand_component":"96E","ligand_label_asym_id":"G","ligand_occupancy":0.82,"missing_sidechain_atoms_conformer_consistent":[],"missing_sidechain_atoms_union":[],"model":1,"model_number":1,"pdb_id":"5NRR","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":"5NRR:B:UP:Q9UBC3:PWWP1","region_type":"native_annotation_core","site_id":"PDB:5NRR:LIG:G:96E:401:.:SITE:UP:Q9UBC3:PWWP1:B","source_coordinate_sha256":"ab09d824a29b987279f6178899a03ddb8e496509769ce2e3558b670c6826e1e0"},{"annotation_core":true,"canonical_position":239,"distance_angstrom":3.7988,"label_seq_id":34,"ligand_alt":null,"ligand_atom":"C06","ligand_auth_asym_id":"B","ligand_component":"96E","ligand_label_asym_id":"G","ligand_occupancy":0.82,"missing_sidechain_atoms_conformer_consistent":[],"missing_sidechain_atoms_union":[],"model":1,"model_number":1,"pdb_id":"5NRR","protein_alt":"B","protein_atom":"CG","protein_auth_asym_id":"B","protein_auth_seq_id":"239","protein_chain":"B","protein_component":"TRP","protein_insertion_code":null,"protein_occupancy":0.54,"quality_id":"5NRR:B:UP:Q9UBC3:PWWP1","region_type":"native_annotation_core","site_id":"PDB:5NRR:LIG:G:96E:401:.:SITE:UP:Q9UBC3:PWWP1:B","source_coordinate_sha256":"ab09d824a29b987279f6178899a03ddb8e496509769ce2e3558b670c6826e1e0"},{"annotation_core":true,"canonical_position":263,"distance_angstrom":3.5844,"label_seq_id":58,"ligand_alt":null,"ligand_atom":"C07","ligand_auth_asym_id":"B","ligand_component":"96E","ligand_label_asym_id":"G","ligand_occupancy":0.82,"missing_sidechain_atoms_conformer_consistent":[],"missing_sidechain_atoms_union":[],"model":1,"model_number":1,"pdb_id":"5NRR","protein_alt":null,"protein_atom":"CZ2","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":"5NRR:B:UP:Q9UBC3:PWWP1","region_type":"native_annotation_core","site_id":"PDB:5NRR:LIG:G:96E:401:.:SITE:UP:Q9UBC3:PWWP1:B","source_coordinate_sha256":"ab09d824a29b987279f6178899a03ddb8e496509769ce2e3558b670c6826e1e0"},{"annotation_core":true,"canonical_position":266,"distance_angstrom":3.0943,"label_seq_id":61,"ligand_alt":null,"ligand_atom":"C03","ligand_auth_asym_id":"B","ligand_component":"96E","ligand_label_asym_id":"G","ligand_occupancy":0.82,"missing_sidechain_atoms_conformer_consistent":[],"missing_sidechain_atoms_union":[],"model":1,"model_number":1,"pdb_id":"5NRR","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":"5NRR:B:UP:Q9UBC3:PWWP1","region_type":"native_annotation_core","site_id":"PDB:5NRR:LIG:G:96E:401:.:SITE:UP:Q9UBC3:PWWP1:B","source_coordinate_sha256":"ab09d824a29b987279f6178899a03ddb8e496509769ce2e3558b670c6826e1e0"},{"annotation_core":true,"canonical_position":268,"distance_angstrom":3.9104,"label_seq_id":63,"ligand_alt":null,"ligand_atom":"C02","ligand_auth_asym_id":"B","ligand_component":"96E","ligand_label_asym_id":"G","ligand_occupancy":0.82,"missing_sidechain_atoms_conformer_consistent":[],"missing_sidechain_atoms_union":[],"model":1,"model_number":1,"pdb_id":"5NRR","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":"5NRR:B:UP:Q9UBC3:PWWP1","region_type":"native_annotation_core","site_id":"PDB:5NRR:LIG:G:96E:401:.:SITE:UP:Q9UBC3:PWWP1:B","source_coordinate_sha256":"ab09d824a29b987279f6178899a03ddb8e496509769ce2e3558b670c6826e1e0"},{"annotation_core":true,"canonical_position":269,"distance_angstrom":5.6416,"label_seq_id":64,"ligand_alt":null,"ligand_atom":"O01","ligand_auth_asym_id":"B","ligand_component":"96E","ligand_label_asym_id":"G","ligand_occupancy":0.82,"missing_sidechain_atoms_conformer_consistent":[],"missing_sidechain_atoms_union":[],"model":1,"model_number":1,"pdb_id":"5NRR","protein_alt":null,"protein_atom":"O","protein_auth_asym_id":"B","protein_auth_seq_id":"269","protein_chain":"B","protein_component":"PHE","protein_insertion_code":null,"protein_occupancy":1.0,"quality_id":"5NRR:B:UP:Q9UBC3:PWWP1","region_type":"native_annotation_core","site_id":"PDB:5NRR:LIG:G:96E:401:.:SITE:UP:Q9UBC3:PWWP1:B","source_coordinate_sha256":"ab09d824a29b987279f6178899a03ddb8e496509769ce2e3558b670c6826e1e0"},{"annotation_core":true,"canonical_position":270,"distance_angstrom":4.2895,"label_seq_id":65,"ligand_alt":null,"ligand_atom":"O01","ligand_auth_asym_id":"B","ligand_component":"96E","ligand_label_asym_id":"G","ligand_occupancy":0.82,"missing_sidechain_atoms_conformer_consistent":[],"missing_sidechain_atoms_union":[],"model":1,"model_number":1,"pdb_id":"5NRR","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":"5NRR:B:UP:Q9UBC3:PWWP1","region_type":"native_annotation_core","site_id":"PDB:5NRR:LIG:G:96E:401:.:SITE:UP:Q9UBC3:PWWP1:B","source_coordinate_sha256":"ab09d824a29b987279f6178899a03ddb8e496509769ce2e3558b670c6826e1e0"},{"annotation_core":false,"canonical_position":295,"distance_angstrom":4.2841,"label_seq_id":90,"ligand_alt":null,"ligand_atom":"O13","ligand_auth_asym_id":"B","ligand_component":"96E","ligand_label_asym_id":"G","ligand_occupancy":0.82,"missing_sidechain_atoms_conformer_consistent":null,"missing_sidechain_atoms_union":null,"model":1,"model_number":1,"pdb_id":"5NRR","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":"5NRR:B:UP:Q9UBC3:PWWP1","region_type":"broader_pfam_outside_annotation_core","site_id":"PDB:5NRR:LIG:G:96E:401:.:SITE:UP:Q9UBC3:PWWP1:B","source_coordinate_sha256":"ab09d824a29b987279f6178899a03ddb8e496509769ce2e3558b670c6826e1e0"},{"annotation_core":false,"canonical_position":297,"distance_angstrom":2.7806,"label_seq_id":92,"ligand_alt":null,"ligand_atom":"O13","ligand_auth_asym_id":"B","ligand_component":"96E","ligand_label_asym_id":"G","ligand_occupancy":0.82,"missing_sidechain_atoms_conformer_consistent":null,"missing_sidechain_atoms_union":null,"model":1,"model_number":1,"pdb_id":"5NRR","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":"5NRR:B:UP:Q9UBC3:PWWP1","region_type":"broader_pfam_outside_annotation_core","site_id":"PDB:5NRR:LIG:G:96E:401:.:SITE:UP:Q9UBC3:PWWP1:B","source_coordinate_sha256":"ab09d824a29b987279f6178899a03ddb8e496509769ce2e3558b670c6826e1e0"}],"contacts_at_6A":13,"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:5NRR:LIG:G:96E:401:.","ligand_label_asym_id":"G","minimum_core_distance_angstrom":2.7806,"model":1,"pdb_id":"5NRR","protein_label_asym_id":"B","quality_id":"5NRR:B:UP:Q9UBC3:PWWP1","site_id":"PDB:5NRR:LIG:G:96E:401:.:SITE:UP:Q9UBC3:PWWP1:B","source_component_is_unmodified_parent":null,"source_coordinate_sha256":"ab09d824a29b987279f6178899a03ddb8e496509769ce2e3558b670c6826e1e0","source_role":"research_ligand","warnings":["partial_occupancy_contact_atoms","representative_alt_conformers_selected"]}
