data_PRD_001073
# 
_pdbx_reference_molecule.prd_id                       PRD_001073 
_pdbx_reference_molecule.name                         "Thiocillin GE2270 analogue NVP-LDK733" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Thiopeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antibiotic 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C55 H64 N13 O11 S6" 
_pdbx_reference_molecule.formula_weight               1275.567 
_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             "THE GE2270A-LIKE ANTIBIOTIC COMPOUND IS REPRESENTED AS POLYMER. THE FIRST 11 RESIDUES OF THE ANTIBIOTIC ARE IDENTICAL TO THE CORRESPONDING RESIDUES IN GE2270A, WITH ONLY THE LAST RESIDUE MODIFIED" 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3U6K 
# 
_pdbx_reference_entity_list.prd_id          PRD_001073 
_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         "PEPTIDE LIKE SEQUENCE RESIDUES 1 TO 12" 
# 
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_001073 1 1  CA SER 1  C  BB9 10 sing 1 ? ? ? 
PRD_001073 1 2  C  SER 1  N  BB9 2  sing 1 ? ? ? 
PRD_001073 1 3  C  SER 1  SG BB9 2  sing 1 ? ? ? 
PRD_001073 1 4  CB SER 1  CB MH6 11 sing 1 ? ? ? 
PRD_001073 1 5  C  BB9 2  N  MEN 3  sing 1 ? ? ? 
PRD_001073 1 6  C  MEN 3  N  BB6 4  sing 1 ? ? ? 
PRD_001073 1 7  C  MEN 3  SG BB6 4  sing 1 ? ? ? 
PRD_001073 1 8  C  BB6 4  N  VAL 5  sing 1 ? ? ? 
PRD_001073 1 9  C  VAL 5  N  BB7 6  sing 1 ? ? ? 
PRD_001073 1 10 C  VAL 5  SG BB7 6  sing 1 ? ? ? 
PRD_001073 1 11 C  BB7 6  N  GLY 7  sing 1 ? ? ? 
PRD_001073 1 12 C  GLY 7  N  BB8 8  sing 1 ? ? ? 
PRD_001073 1 13 C  BB8 8  N  BB9 9  sing 1 ? ? ? 
PRD_001073 1 14 C  BB8 8  SG BB9 9  sing 1 ? ? ? 
PRD_001073 1 15 C  BB9 9  SG BB9 10 sing 1 ? ? ? 
PRD_001073 1 16 C  BB9 9  N  BB9 10 sing 1 ? ? ? 
PRD_001073 1 17 C  BB9 10 N  MH6 11 sing 1 ? ? ? 
PRD_001073 1 18 C  MH6 11 SG 9BB 12 sing 1 ? ? ? 
PRD_001073 1 19 C  MH6 11 N  9BB 12 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001073 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         Q7M0J8 
_pdbx_reference_entity_poly.db_name         UNP 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001073 
_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_001073 1 1  SER SER N Y 
PRD_001073 1 2  BB9 CYS N Y 
PRD_001073 1 3  MEN ASN N Y 
PRD_001073 1 4  BB6 CYS N Y 
PRD_001073 1 5  VAL VAL N Y 
PRD_001073 1 6  BB7 CYS N Y 
PRD_001073 1 7  GLY GLY N Y 
PRD_001073 1 8  BB8 PHE N Y 
PRD_001073 1 9  BB9 CYS N Y 
PRD_001073 1 10 BB9 CYS N Y 
PRD_001073 1 11 MH6 SER N Y 
PRD_001073 1 12 9BB ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001073 2012-09-12 RCSB "Create molecule" 
PRD_001073 2012-12-12 RCSB "Initial release" 
# 
