Brand  (β version)

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hetatm:

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

Chain : A, B, C, D
UniProt : O60760 (HPGDS_HUMAN)
Reaction : Reaction=prostaglandin H2 = prostaglandin D2; Xref=Rhea:RHEA:10600, ChEBI:CHEBI:57405, ChEBI:CHEBI:57406; EC=5.3.99.2; Evidence={ECO:0000269|PubMed:10824118, ECO:0000269|PubMed:11672424, ECO:0000269|PubMed:12244105, ECO:0000269|PubMed:12627223, ECO:0000269|PubMed:16547010, ECO:0000269|PubMed:19939518, ECO:0000269|PubMed:9353279, ECO:0000269|PubMed:9425264}; PhysiologicalDirection=left-to-right; Xref=Rhea:RHEA:10601; Evidence={ECO:0000305|PubMed:10824118, ECO:0000305|PubMed:12244105};
Reaction=glutathione + RX = a halide anion + an S-substituted glutathione + H(+); Xref=Rhea:RHEA:16437, ChEBI:CHEBI:15378, ChEBI:CHEBI:16042, ChEBI:CHEBI:17792, ChEBI:CHEBI:57925, ChEBI:CHEBI:90779; EC=2.5.1.18; Evidence={ECO:0000269|PubMed:10824118, ECO:0000269|PubMed:11672424, ECO:0000269|PubMed:15113825};
Reaction=2-glyceryl-prostaglandin H2 = 2-glyceryl-prostaglandin D2; Xref=Rhea:RHEA:51232, ChEBI:CHEBI:85166, ChEBI:CHEBI:133979; Evidence={ECO:0000269|PubMed:12244105}; PhysiologicalDirection=left-to-right; Xref=Rhea:RHEA:51233; Evidence={ECO:0000305|PubMed:12244105};