data_PRD_002338
# 
_pdbx_reference_molecule.prd_id                       PRD_002338 
_pdbx_reference_molecule.name                         "N-(3-phenylpropanoyl)-3-(1,3-thiazol-4-yl)-L-alanyl-N-[(1S,2S)-1-(1,3-benzothiazol-2-yl)-5-carbamimidamido-1-hydroxypentan-2-yl]-L-valinamide" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C33 H42 N8 O4 S2" 
_pdbx_reference_molecule.formula_weight               678.868 
_pdbx_reference_molecule.chem_comp_id                 KD7 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   6N4T 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_002338 
_pdbx_reference_entity_subcomponents.seq            "HCI KCJ VAL KCM" 
_pdbx_reference_entity_subcomponents.chem_comp_id   KD7 
# 
_pdbx_reference_entity_list.prd_id          PRD_002338 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer-like 
_pdbx_reference_entity_list.details         . 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_002338 1 1 C1 HCI 1 N   KCJ 2 SING 1 ? ? ? 
PRD_002338 1 2 C  KCJ 2 N   VAL 3 SING 1 ? ? ? 
PRD_002338 1 3 C  VAL 3 N30 KCM 4 SING 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002338 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         . 
_pdbx_reference_entity_poly.db_name         . 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_002338 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_002338 1 1 HCI .   N Y 
PRD_002338 1 2 KCJ .   N Y 
PRD_002338 1 3 VAL VAL N Y 
PRD_002338 1 4 KCM .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002338 2018-12-07 RCSB "Create molecule"    
PRD_002338 2019-10-02 RCSB "Initial release"    
PRD_002338 2023-11-03 PDBE "Other modification" 
# 
