Brand  (β version)

PDB ID: 4EDZ

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Ligands
Code Name Style Show Link
GSH Glutathione PoSSuM
0O5 4-(3-methylisoquinolin-1-yl)-N-[2-(morpholin-4-yl)ethyl]benzamide PoSSuM
MG Magnesium ion PoSSuM
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Structure summary

Code : 4EDZ   PDBj   RCSB PDB   PDBe
Header : Isomerase/Isomerase inhibitor
Title : Crystal structure of hH-PGDS with water displacing inhibitor
Release Data : 2012-05-16
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: GSTS, HPGDS, PGDS, PTGDS2
Authors : Day, J.E., Thorarensen, A., Trujillo, J.I.
Keywords : Inhibitor, Solvent replacement, Isomerase-Isomerase inhibitor complex
Exp. method : X-RAY DIFFRACTION ( 2.0000 Å )
Citation :

Investigation of the binding pocket of human hematopoietic prostaglandin (PG) D2 synthase (hH-PGDS): a tale of two waters.

Trujillo, J.I.,Kiefer, J.R.,Huang, W.  et al.
(2012)  Bioorg.Med.Chem.Lett.  22 : 3795 - 3799

PubMed: 22546671
DOI: 10.1016/j.bmcl.2012.04.004

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
RX + glutathione = an S-substituted glutathione + a halide anion + H(+) 2.5.1.18 PubMed:10824118, PubMed:11672424, PubMed:15113825
-
2-glyceryl-prostaglandin H2 = 2-glyceryl-prostaglandin D2 - PubMed:12244105
left-to-right
Cofactor: Evidence: Note:
glutathione ECO:0000269 | PubMed:10824118
ECO:0000269 | PubMed:11672424
ECO:0000269 | PubMed:9353279
ECO:0000269 | PubMed:9425264
Glutathione is required for the prostaglandin D synthase activity.