data_PRD_002237
# 
_pdbx_reference_molecule.prd_id                       PRD_002237 
_pdbx_reference_molecule.name                         "(2R,4R)-4-{[(2-{(1R,3R)-1-(acetyloxy)-4-methyl-3-[methyl(N-{[(2S)-1-methylpiperidin-2-yl]carbonyl}-D-isoleucyl)amino]pentyl}-1,3-thiazol-4-yl)carbonyl]amino}-2-methyl-5-phenylpentanoic acid" 
_pdbx_reference_molecule.represent_as                 "single molecule" 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C38 H57 N5 O7 S" 
_pdbx_reference_molecule.formula_weight               727.953 
_pdbx_reference_molecule.chem_comp_id                 55Q 
_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   4ZOL 
# 
_pdbx_reference_entity_subcomponents.prd_id         PRD_002237 
_pdbx_reference_entity_subcomponents.seq            "APP DIL 55N BB9 55P" 
_pdbx_reference_entity_subcomponents.chem_comp_id   55Q 
# 
_pdbx_reference_entity_list.prd_id          PRD_002237 
_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_002237 1 1 "C'" APP 1 N   DIL 2 SING 1 ? ? ? 
PRD_002237 1 2 C    DIL 2 NAP 55N 3 SING 1 ? ? ? 
PRD_002237 1 3 CAY  55N 3 SG  BB9 4 SING 1 ? ? ? 
PRD_002237 1 4 CAY  55N 3 N   BB9 4 DOUB 1 ? ? ? 
PRD_002237 1 5 C    BB9 4 NBI 55P 5 SING 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002237 
_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_002237 
_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_002237 1 1 APP .   N Y 
PRD_002237 1 2 DIL .   N Y 
PRD_002237 1 3 55N .   N Y 
PRD_002237 1 4 BB9 CYS N Y 
PRD_002237 1 5 55P .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002237 2016-07-05 .    "Create molecule" 
PRD_002237 2016-07-27 RCSB "Initial release" 
# 
