data_PRD_000224
# 
_pdbx_reference_molecule.prd_id                       PRD_000224 
_pdbx_reference_molecule.name                         "Polytheonamide B" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Oligopeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Anticancer 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C219 H376 N60 O72 S" 
_pdbx_reference_molecule.formula_weight               5033.75 
_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   2rqo 
# 
_pdbx_reference_entity_list.prd_id          PRD_000224 
_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         "POLYTHEONAMIDE B" 
# 
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_000224 1 1  C MHE 1  N GLY 2  sing 1 ? ? ? 
PRD_000224 1 2  C GLY 2  N I2M 3  sing 1 ? ? ? 
PRD_000224 1 3  C I2M 3  N GLY 4  sing 1 ? ? ? 
PRD_000224 1 4  C GLY 4  N TBG 5  sing 1 ? ? ? 
PRD_000224 1 5  C TBG 5  N TDD 6  sing 1 ? ? ? 
PRD_000224 1 6  C TDD 6  N TBG 7  sing 1 ? ? ? 
PRD_000224 1 7  C TBG 7  N DAL 8  sing 1 ? ? ? 
PRD_000224 1 8  C DAL 8  N TBG 9  sing 1 ? ? ? 
PRD_000224 1 9  C TBG 9  N TDD 10 sing 1 ? ? ? 
PRD_000224 1 10 C TDD 10 N ALA 11 sing 1 ? ? ? 
PRD_000224 1 11 C ALA 11 N GLY 12 sing 1 ? ? ? 
PRD_000224 1 12 C GLY 12 N ALA 13 sing 1 ? ? ? 
PRD_000224 1 13 C ALA 13 N TDD 14 sing 1 ? ? ? 
PRD_000224 1 14 C TDD 14 N ALA 15 sing 1 ? ? ? 
PRD_000224 1 15 C ALA 15 N MND 16 sing 1 ? ? ? 
PRD_000224 1 16 C MND 16 N HVA 17 sing 1 ? ? ? 
PRD_000224 1 17 C HVA 17 N GLY 18 sing 1 ? ? ? 
PRD_000224 1 18 C GLY 18 N ALA 19 sing 1 ? ? ? 
PRD_000224 1 19 C ALA 19 N GLY 20 sing 1 ? ? ? 
PRD_000224 1 20 C GLY 20 N TBG 21 sing 1 ? ? ? 
PRD_000224 1 21 C TBG 21 N MND 22 sing 1 ? ? ? 
PRD_000224 1 22 C MND 22 N LMQ 23 sing 1 ? ? ? 
PRD_000224 1 23 C LMQ 23 N DHV 24 sing 1 ? ? ? 
PRD_000224 1 24 C DHV 24 N ALA 25 sing 1 ? ? ? 
PRD_000224 1 25 C ALA 25 N GLY 26 sing 1 ? ? ? 
PRD_000224 1 26 C GLY 26 N GLY 27 sing 1 ? ? ? 
PRD_000224 1 27 C GLY 27 N MND 28 sing 1 ? ? ? 
PRD_000224 1 28 C MND 28 N ILE 29 sing 1 ? ? ? 
PRD_000224 1 29 C ILE 29 N HTN 30 sing 1 ? ? ? 
PRD_000224 1 30 C HTN 30 N TBG 31 sing 1 ? ? ? 
PRD_000224 1 31 C TBG 31 N DHV 32 sing 1 ? ? ? 
PRD_000224 1 32 C DHV 32 N GLY 33 sing 1 ? ? ? 
PRD_000224 1 33 C GLY 33 N MND 34 sing 1 ? ? ? 
PRD_000224 1 34 C MND 34 N ILE 35 sing 1 ? ? ? 
PRD_000224 1 35 C ILE 35 N MND 36 sing 1 ? ? ? 
PRD_000224 1 36 C MND 36 N VAL 37 sing 1 ? ? ? 
PRD_000224 1 37 C VAL 37 N HTN 38 sing 1 ? ? ? 
PRD_000224 1 38 C HTN 38 N ALA 39 sing 1 ? ? ? 
PRD_000224 1 39 C ALA 39 N MND 40 sing 1 ? ? ? 
PRD_000224 1 40 C MND 40 N VAL 41 sing 1 ? ? ? 
PRD_000224 1 41 C VAL 41 N DSN 42 sing 1 ? ? ? 
PRD_000224 1 42 C DSN 42 N VAL 43 sing 1 ? ? ? 
PRD_000224 1 43 C VAL 43 N DSG 44 sing 1 ? ? ? 
PRD_000224 1 44 C DSG 44 N M2S 45 sing 1 ? ? ? 
PRD_000224 1 45 C M2S 45 N DSG 46 sing 1 ? ? ? 
PRD_000224 1 46 C DSG 46 N GLN 47 sing 1 ? ? ? 
PRD_000224 1 47 C GLN 47 N 2TL 48 sing 1 ? ? ? 
PRD_000224 1 48 C 2TL 48 N THR 49 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000224 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         NOR00669 
_pdbx_reference_entity_poly.db_name         NOR 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000224 
_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_000224 1 1  MHE ?   N Y 
PRD_000224 1 2  GLY GLY N Y 
PRD_000224 1 3  I2M ILE N Y 
PRD_000224 1 4  GLY GLY N Y 
PRD_000224 1 5  TBG GLY N Y 
PRD_000224 1 6  TDD ?   N Y 
PRD_000224 1 7  TBG GLY N Y 
PRD_000224 1 8  DAL ALA N Y 
PRD_000224 1 9  TBG GLY N Y 
PRD_000224 1 10 TDD ?   N Y 
PRD_000224 1 11 ALA ALA N Y 
PRD_000224 1 12 GLY GLY N Y 
PRD_000224 1 13 ALA ALA N Y 
PRD_000224 1 14 TDD ?   N Y 
PRD_000224 1 15 ALA ALA N Y 
PRD_000224 1 16 MND ASN N Y 
PRD_000224 1 17 HVA VAL N Y 
PRD_000224 1 18 GLY GLY N Y 
PRD_000224 1 19 ALA ALA N Y 
PRD_000224 1 20 GLY GLY N Y 
PRD_000224 1 21 TBG GLY N Y 
PRD_000224 1 22 MND ASN N Y 
PRD_000224 1 23 LMQ GLN N Y 
PRD_000224 1 24 DHV VAL N Y 
PRD_000224 1 25 ALA ALA N Y 
PRD_000224 1 26 GLY GLY N Y 
PRD_000224 1 27 GLY GLY N Y 
PRD_000224 1 28 MND ASN N Y 
PRD_000224 1 29 ILE ILE N Y 
PRD_000224 1 30 HTN ASN N Y 
PRD_000224 1 31 TBG GLY N Y 
PRD_000224 1 32 DHV VAL N Y 
PRD_000224 1 33 GLY GLY N Y 
PRD_000224 1 34 MND ASN N Y 
PRD_000224 1 35 ILE ILE N Y 
PRD_000224 1 36 MND ASN N Y 
PRD_000224 1 37 VAL VAL N Y 
PRD_000224 1 38 HTN ASN N Y 
PRD_000224 1 39 ALA ALA N Y 
PRD_000224 1 40 MND ASN N Y 
PRD_000224 1 41 VAL VAL N Y 
PRD_000224 1 42 DSN SER N Y 
PRD_000224 1 43 VAL VAL N Y 
PRD_000224 1 44 DSG ASN N Y 
PRD_000224 1 45 M2S ?   N Y 
PRD_000224 1 46 DSG ASN N Y 
PRD_000224 1 47 GLN GLN N Y 
PRD_000224 1 48 2TL THR N Y 
PRD_000224 1 49 THR THR N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_000224 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 ? 
_pdbx_reference_entity_src_nat.organism_scientific   "Theonella swinhoei" 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               NOR00669 
_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_000224 2012-02-01 RCSB "Create molecule"    
PRD_000224 2012-07-09 PDBE "Other modification" 
PRD_000224 2012-12-12 RCSB "Initial release"    
PRD_000224 2013-06-03 RCSB "Other modification" 
PRD_000224 2023-09-20 PDBE "Modify audit"       
PRD_000224 2023-11-03 PDBE "Other modification" 
# 
