Brand  (β version)

PDB ID: 5YWX

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Ligands
Code Name Style Show Link
GSH Glutathione PoSSuM
93C N-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-(pyridin-2-yl)pyrimidine-5-carboxamide PoSSuM
GOL Glycerol PoSSuM
MG Magnesium ion PoSSuM
Non-standard Residues
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Structure summary

Code : 5YWX   PDBj   RCSB PDB   PDBe
Header : TRANSFERASE/TRANSFERASE INHIBITOR
Title : Crystal structure of hematopoietic prostaglandin D synthase in complex with F092
Release Data : 2018-09-05
Compound :
mol_id molecule chains synonym
1 Hematopoietic prostaglandin D synthase A,B,C,D H-PGDS,GST class-sigma,Glutathione S-transferase,Glutathione-dependent PGD synthase,Glutathione-requiring prostaglandin D synthase,Prostaglandin-H2 D-isomerase
ec: 5.3.99.2,2.5.1.18
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Escherichia coli  (taxid:562)
gene: HPGDS, GSTS, PGDS, PTGDS2
Authors : Kamo, M., Furubayashi, N., Inaka, K., Aritake, K., Omura, A., Tanaka, A.
Keywords : PROSTAGLANDIN, SYNTHASE, Inhibitor, TRANSFERASE, TRANSFERASE-TRANSFERASE INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 1.7400 Å )
Citation :

Characterization of crystal water molecules in a high-affinity inhibitor and hematopoietic prostaglandin D synthase complex by interaction energy studies.

Takaya, D.,Inaka, K.,Omura, A.  et al.
(2018)  Bioorg. Med. Chem.  26 : 4726 - 4734

PubMed: 30121213
DOI: 10.1016/j.bmc.2018.08.014

Reaction

Chain : A, B, C, D
UniProt : O60760 (HPGDS_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
prostaglandin H2 = prostaglandin D2 5.3.99.2 PubMed:10824118, PubMed:11672424, PubMed:12244105, PubMed:12627223, PubMed:16547010, PubMed:19939518, PubMed:9353279, PubMed:9425264
left-to-right PubMed:10824118, PubMed:12244105
glutathione + RX = a halide anion + an S-substituted glutathione + H(+) 2.5.1.18 PubMed:10824118, PubMed:11672424, PubMed:15113825
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2-glyceryl-prostaglandin H2 = 2-glyceryl-prostaglandin D2 - PubMed:12244105
left-to-right