{"assembly_context":"asymmetric_unit_multi_chain_possible","assessment_status":"calculated_observed_ligand_environment","broader_pfam_contacts_at_5A":0,"ccd_id":"A1A38","contacting_residues_missing_sidechain_atoms":0,"contacts":[{"annotation_core":true,"canonical_position":15,"distance_angstrom":3.5425,"label_seq_id":16,"ligand_alt":null,"ligand_atom":"C4","ligand_auth_asym_id":"B","ligand_component":"A1A38","ligand_label_asym_id":"K","ligand_occupancy":0.94,"missing_sidechain_atoms_conformer_consistent":[],"missing_sidechain_atoms_union":[],"model":1,"model_number":1,"pdb_id":"7HHE","protein_alt":null,"protein_atom":"SD","protein_auth_asym_id":"B","protein_auth_seq_id":"15","protein_chain":"B","protein_component":"MET","protein_insertion_code":null,"protein_occupancy":1.0,"quality_id":"7HHE:B:UP:Q7Z4V5:PWWP1","region_type":"native_annotation_core","site_id":"PDB:7HHE:LIG:K:A1A38:103:.:SITE:UP:Q7Z4V5:PWWP1:B","source_coordinate_sha256":"7ec19fe862a32d2e45b19f4ec6caed24fc0d1778b7ba1d83733db11e1f83a78a"},{"annotation_core":true,"canonical_position":18,"distance_angstrom":3.5751,"label_seq_id":19,"ligand_alt":null,"ligand_atom":"C","ligand_auth_asym_id":"B","ligand_component":"A1A38","ligand_label_asym_id":"K","ligand_occupancy":0.94,"missing_sidechain_atoms_conformer_consistent":[],"missing_sidechain_atoms_union":[],"model":1,"model_number":1,"pdb_id":"7HHE","protein_alt":null,"protein_atom":"CG","protein_auth_asym_id":"B","protein_auth_seq_id":"18","protein_chain":"B","protein_component":"TYR","protein_insertion_code":null,"protein_occupancy":1.0,"quality_id":"7HHE:B:UP:Q7Z4V5:PWWP1","region_type":"native_annotation_core","site_id":"PDB:7HHE:LIG:K:A1A38:103:.:SITE:UP:Q7Z4V5:PWWP1:B","source_coordinate_sha256":"7ec19fe862a32d2e45b19f4ec6caed24fc0d1778b7ba1d83733db11e1f83a78a"},{"annotation_core":true,"canonical_position":21,"distance_angstrom":3.2612,"label_seq_id":22,"ligand_alt":null,"ligand_atom":"C2","ligand_auth_asym_id":"B","ligand_component":"A1A38","ligand_label_asym_id":"K","ligand_occupancy":0.94,"missing_sidechain_atoms_conformer_consistent":[],"missing_sidechain_atoms_union":[],"model":1,"model_number":1,"pdb_id":"7HHE","protein_alt":null,"protein_atom":"CE2","protein_auth_asym_id":"B","protein_auth_seq_id":"21","protein_chain":"B","protein_component":"TRP","protein_insertion_code":null,"protein_occupancy":1.0,"quality_id":"7HHE:B:UP:Q7Z4V5:PWWP1","region_type":"native_annotation_core","site_id":"PDB:7HHE:LIG:K:A1A38:103:.:SITE:UP:Q7Z4V5:PWWP1:B","source_coordinate_sha256":"7ec19fe862a32d2e45b19f4ec6caed24fc0d1778b7ba1d83733db11e1f83a78a"},{"annotation_core":true,"canonical_position":44,"distance_angstrom":3.6984,"label_seq_id":45,"ligand_alt":null,"ligand_atom":"C2","ligand_auth_asym_id":"B","ligand_component":"A1A38","ligand_label_asym_id":"K","ligand_occupancy":0.94,"missing_sidechain_atoms_conformer_consistent":[],"missing_sidechain_atoms_union":[],"model":1,"model_number":1,"pdb_id":"7HHE","protein_alt":null,"protein_atom":"CD2","protein_auth_asym_id":"B","protein_auth_seq_id":"44","protein_chain":"B","protein_component":"PHE","protein_insertion_code":null,"protein_occupancy":1.0,"quality_id":"7HHE:B:UP:Q7Z4V5:PWWP1","region_type":"native_annotation_core","site_id":"PDB:7HHE:LIG:K:A1A38:103:.:SITE:UP:Q7Z4V5:PWWP1:B","source_coordinate_sha256":"7ec19fe862a32d2e45b19f4ec6caed24fc0d1778b7ba1d83733db11e1f83a78a"},{"annotation_core":true,"canonical_position":45,"distance_angstrom":5.3542,"label_seq_id":46,"ligand_alt":null,"ligand_atom":"C2","ligand_auth_asym_id":"B","ligand_component":"A1A38","ligand_label_asym_id":"K","ligand_occupancy":0.94,"missing_sidechain_atoms_conformer_consistent":[],"missing_sidechain_atoms_union":[],"model":1,"model_number":1,"pdb_id":"7HHE","protein_alt":null,"protein_atom":"O","protein_auth_asym_id":"B","protein_auth_seq_id":"45","protein_chain":"B","protein_component":"PHE","protein_insertion_code":null,"protein_occupancy":1.0,"quality_id":"7HHE:B:UP:Q7Z4V5:PWWP1","region_type":"native_annotation_core","site_id":"PDB:7HHE:LIG:K:A1A38:103:.:SITE:UP:Q7Z4V5:PWWP1:B","source_coordinate_sha256":"7ec19fe862a32d2e45b19f4ec6caed24fc0d1778b7ba1d83733db11e1f83a78a"},{"annotation_core":true,"canonical_position":47,"distance_angstrom":2.7814,"label_seq_id":48,"ligand_alt":null,"ligand_atom":"O","ligand_auth_asym_id":"B","ligand_component":"A1A38","ligand_label_asym_id":"K","ligand_occupancy":0.94,"missing_sidechain_atoms_conformer_consistent":[],"missing_sidechain_atoms_union":[],"model":1,"model_number":1,"pdb_id":"7HHE","protein_alt":null,"protein_atom":"OG1","protein_auth_asym_id":"B","protein_auth_seq_id":"47","protein_chain":"B","protein_component":"THR","protein_insertion_code":null,"protein_occupancy":1.0,"quality_id":"7HHE:B:UP:Q7Z4V5:PWWP1","region_type":"native_annotation_core","site_id":"PDB:7HHE:LIG:K:A1A38:103:.:SITE:UP:Q7Z4V5:PWWP1:B","source_coordinate_sha256":"7ec19fe862a32d2e45b19f4ec6caed24fc0d1778b7ba1d83733db11e1f83a78a"},{"annotation_core":true,"canonical_position":48,"distance_angstrom":5.5899,"label_seq_id":49,"ligand_alt":null,"ligand_atom":"O","ligand_auth_asym_id":"B","ligand_component":"A1A38","ligand_label_asym_id":"K","ligand_occupancy":0.94,"missing_sidechain_atoms_conformer_consistent":[],"missing_sidechain_atoms_union":[],"model":1,"model_number":1,"pdb_id":"7HHE","protein_alt":null,"protein_atom":"N","protein_auth_asym_id":"B","protein_auth_seq_id":"48","protein_chain":"B","protein_component":"HIS","protein_insertion_code":null,"protein_occupancy":1.0,"quality_id":"7HHE:B:UP:Q7Z4V5:PWWP1","region_type":"native_annotation_core","site_id":"PDB:7HHE:LIG:K:A1A38:103:.:SITE:UP:Q7Z4V5:PWWP1:B","source_coordinate_sha256":"7ec19fe862a32d2e45b19f4ec6caed24fc0d1778b7ba1d83733db11e1f83a78a"},{"annotation_core":true,"canonical_position":49,"distance_angstrom":3.2705,"label_seq_id":50,"ligand_alt":null,"ligand_atom":"N1","ligand_auth_asym_id":"B","ligand_component":"A1A38","ligand_label_asym_id":"K","ligand_occupancy":0.94,"missing_sidechain_atoms_conformer_consistent":[],"missing_sidechain_atoms_union":[],"model":1,"model_number":1,"pdb_id":"7HHE","protein_alt":null,"protein_atom":"OE2","protein_auth_asym_id":"B","protein_auth_seq_id":"49","protein_chain":"B","protein_component":"GLU","protein_insertion_code":null,"protein_occupancy":1.0,"quality_id":"7HHE:B:UP:Q7Z4V5:PWWP1","region_type":"native_annotation_core","site_id":"PDB:7HHE:LIG:K:A1A38:103:.:SITE:UP:Q7Z4V5:PWWP1:B","source_coordinate_sha256":"7ec19fe862a32d2e45b19f4ec6caed24fc0d1778b7ba1d83733db11e1f83a78a"},{"annotation_core":true,"canonical_position":50,"distance_angstrom":3.7736,"label_seq_id":51,"ligand_alt":null,"ligand_atom":"C5","ligand_auth_asym_id":"B","ligand_component":"A1A38","ligand_label_asym_id":"K","ligand_occupancy":0.94,"missing_sidechain_atoms_conformer_consistent":[],"missing_sidechain_atoms_union":[],"model":1,"model_number":1,"pdb_id":"7HHE","protein_alt":null,"protein_atom":"O","protein_auth_asym_id":"B","protein_auth_seq_id":"50","protein_chain":"B","protein_component":"THR","protein_insertion_code":null,"protein_occupancy":1.0,"quality_id":"7HHE:B:UP:Q7Z4V5:PWWP1","region_type":"native_annotation_core","site_id":"PDB:7HHE:LIG:K:A1A38:103:.:SITE:UP:Q7Z4V5:PWWP1:B","source_coordinate_sha256":"7ec19fe862a32d2e45b19f4ec6caed24fc0d1778b7ba1d83733db11e1f83a78a"},{"annotation_core":true,"canonical_position":51,"distance_angstrom":3.8441,"label_seq_id":52,"ligand_alt":null,"ligand_atom":"C5","ligand_auth_asym_id":"B","ligand_component":"A1A38","ligand_label_asym_id":"K","ligand_occupancy":0.94,"missing_sidechain_atoms_conformer_consistent":[],"missing_sidechain_atoms_union":[],"model":1,"model_number":1,"pdb_id":"7HHE","protein_alt":null,"protein_atom":"CB","protein_auth_asym_id":"B","protein_auth_seq_id":"51","protein_chain":"B","protein_component":"ALA","protein_insertion_code":null,"protein_occupancy":1.0,"quality_id":"7HHE:B:UP:Q7Z4V5:PWWP1","region_type":"native_annotation_core","site_id":"PDB:7HHE:LIG:K:A1A38:103:.:SITE:UP:Q7Z4V5:PWWP1:B","source_coordinate_sha256":"7ec19fe862a32d2e45b19f4ec6caed24fc0d1778b7ba1d83733db11e1f83a78a"}],"contacts_at_6A":10,"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:7HHE:LIG:K:A1A38:103:.","ligand_label_asym_id":"K","minimum_core_distance_angstrom":2.7814,"model":1,"pdb_id":"7HHE","protein_label_asym_id":"B","quality_id":"7HHE:B:UP:Q7Z4V5:PWWP1","site_id":"PDB:7HHE:LIG:K:A1A38:103:.:SITE:UP:Q7Z4V5:PWWP1:B","source_component_is_unmodified_parent":null,"source_coordinate_sha256":"7ec19fe862a32d2e45b19f4ec6caed24fc0d1778b7ba1d83733db11e1f83a78a","source_role":"research_ligand","warnings":["partial_occupancy_contact_atoms","multi_chain_environment_source_annotation"]}