data_PRD_000428
# 
_pdbx_reference_molecule.prd_id                       PRD_000428 
_pdbx_reference_molecule.name                         "CYCLOTHEONAMIDE A" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        "Thrombin Inhibitor" 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C36 H46 N9 O8" 
_pdbx_reference_molecule.formula_weight               732.806 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     PRD_000554 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   1tmb 
# 
_pdbx_reference_entity_list.prd_id          PRD_000428 
_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         "MACROCYCLIC PEPTIDE CYCLOTHEONAMIDE A" 
# 
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_000428 1 1 C 0MG 1 N DPN 2 sing 1 ? ? ? 
PRD_000428 1 2 N 0MG 1 C PRO 5 sing 1 ? ? ? 
PRD_000428 1 3 C DPN 2 N VLT 3 sing 1 ? ? ? 
PRD_000428 1 4 C VLT 3 N 0FL 4 sing 1 ? ? ? 
PRD_000428 1 5 C 0FL 4 N PRO 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000428 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         NOR00471 
_pdbx_reference_entity_poly.db_name         NOR 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000428 
_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_000428 1 1 0MG ?   N Y 
PRD_000428 1 2 DPN PHE N Y 
PRD_000428 1 3 VLT TYR N Y 
PRD_000428 1 4 0FL ALA N Y 
PRD_000428 1 5 PRO PRO N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_000428 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 73791 
_pdbx_reference_entity_src_nat.organism_scientific   "Theonella sp." 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               NOR00471 
_pdbx_reference_entity_src_nat.db_name               Norine 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000428 2012-02-03 RCSB "Create molecule"    
PRD_000428 2012-07-09 PDBE "Other modification" 
PRD_000428 2013-02-19 RCSB "Other modification" 
PRD_000428 2012-12-12 RCSB "Initial release"    
PRD_000428 2013-06-03 RCSB "Other modification" 
PRD_000428 2020-07-29 RCSB "Other modification" 
PRD_000428 2023-09-20 PDBE "Modify audit"       
PRD_000428 2023-11-03 PDBE "Other modification" 
# 
