data_PRD_001133
# 
_pdbx_reference_molecule.prd_id                       PRD_001133 
_pdbx_reference_molecule.name                         "(2R,6S,13AR,14AR,16AS)-6-{[(CYCLOPENTYLOXY)CARBONYL]AMINO}-14A-[(CYCLOPROPYLSULFONYL)CARBAMOYL]-5,16-DIOXOOCTADECAHYDROCYCLOPROPA[E]PYRROLO[1,2-A][1,4]DIAZACYCLOPENTADECIN-2-YL 3,4-DIHYDROISOQUINOLINE-2(1H)-CARBOXYLATE" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C37 H51 N5 O9 S" 
_pdbx_reference_molecule.formula_weight               741.894 
_pdbx_reference_molecule.chem_comp_id                 1X3 
_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   4KTC 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_001133 
_pdbx_reference_entity_subcomponents.seq            "12W 1X0 0Y9 0YA HYP 1X1" 
_pdbx_reference_entity_subcomponents.chem_comp_id   1X3 
# 
_pdbx_reference_entity_list.prd_id          PRD_001133 
_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_001133 1 1 N28 0YA 4 C6  0Y9 3 sing 1 ? ? ? 
PRD_001133 1 2 C29 0Y9 3 C28 1X0 2 sing 1 ? ? ? 
PRD_001133 1 3 N4  0Y9 3 C   HYP 5 sing 1 ? ? ? 
PRD_001133 1 4 N   HYP 5 C17 1X0 2 sing 1 ? ? ? 
PRD_001133 1 5 C30 1X1 6 OD1 HYP 5 sing 1 ? ? ? 
PRD_001133 1 6 N20 1X0 2 C25 12W 1 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001133 
_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_001133 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
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_001133 1 1 12W ?   N Y 
PRD_001133 1 2 1X0 ?   N Y 
PRD_001133 1 3 0Y9 ?   N Y 
PRD_001133 1 4 0YA ?   N Y 
PRD_001133 1 5 HYP PRO N Y 
PRD_001133 1 6 1X1 ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001133 2013-07-22 RCSB "Create molecule"    
PRD_001133 2013-08-07 RCSB "Initial release"    
PRD_001133 2020-07-20 RCSB "Other modification" 
# 
