data_PRD_002523
# 
_pdbx_reference_molecule.prd_id                       PRD_002523 
_pdbx_reference_molecule.name                         "MCR-ALO-MAA-ALA-MAA-NLE-7T2-SER-7T2-ALA-NH2 inhibitor" 
_pdbx_reference_molecule.represent_as                 polymer 
_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                      "C49 H70 Cl2 N10 O12 S" 
_pdbx_reference_molecule.formula_weight               1094.111 
_pdbx_reference_molecule.chem_comp_id                 ? 
_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   8FVN 
# 
_pdbx_reference_entity_list.prd_id          PRD_002523 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_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_002523 1 1  C  MCR 1  N  ALO 2  sing 1 ? ? ? 
PRD_002523 1 2  S2 MCR 1  CB ALA 10 sing 1 ? ? ? 
PRD_002523 1 3  C  ALO 2  N  MAA 3  sing 1 ? ? ? 
PRD_002523 1 4  C  MAA 3  N  ALA 4  sing 1 ? ? ? 
PRD_002523 1 5  C  ALA 4  N  MAA 5  sing 1 ? ? ? 
PRD_002523 1 6  C  MAA 5  N  NLE 6  sing 1 ? ? ? 
PRD_002523 1 7  C  NLE 6  N  7T2 7  sing 1 ? ? ? 
PRD_002523 1 8  C  7T2 7  N  SER 8  sing 1 ? ? ? 
PRD_002523 1 9  C  SER 8  N  7T2 9  sing 1 ? ? ? 
PRD_002523 1 10 C  7T2 9  N  ALA 10 sing 1 ? ? ? 
PRD_002523 1 11 C  ALA 10 N  NH2 11 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002523 
_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_002523 
_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_002523 1 1  MCR .   N Y 
PRD_002523 1 2  ALO THR N Y 
PRD_002523 1 3  MAA ALA N Y 
PRD_002523 1 4  ALA ALA N Y 
PRD_002523 1 5  MAA ALA N Y 
PRD_002523 1 6  NLE LEU N Y 
PRD_002523 1 7  7T2 PHE N Y 
PRD_002523 1 8  SER SER N Y 
PRD_002523 1 9  7T2 PHE N Y 
PRD_002523 1 10 ALA ALA N Y 
PRD_002523 1 11 NH2 .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002523 2023-01-24 RCSB "Create molecule"    
PRD_002523 2023-11-03 PDBE "Other modification" 
PRD_002523 2024-10-16 RCSB "Initial release"    
# 
