Brand  (β version)

PDB ID: 5AIS

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Ligands
Code Name Style Show Link
CWC 4-(dimethylamino)-N-[5-(1h-indol-4-yl)pyridin-3-yl]butanamide PoSSuM
GSH Glutathione PoSSuM
MG Magnesium ion PoSSuM
Non-standard Residues
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Structure summary

Code : 5AIS   PDBj   RCSB PDB   PDBe
Header : TRANSFERASE
Title : Complex of human hematopoietic prostagandin D2 synthase (hH-PGDS) in complex with an active site inhibitor.
Release Data : 2015-06-03
Compound :
mol_id molecule chains synonym
1 HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE A,B,C,D H-PGDS, GST CLASS-SIGMA, GLUTATHIONE S-TRANSFERASE, GLUTATH IONE-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)
Authors : Edfeldt, F., Evenas, J., Lepisto, M., Ward, A., Petersen, J., Wissler, L., Rohman, M., Sivars, U., Svensson, K., Perry, M., Feierberg, I., Zhou, X., Hansson, T., Narjes, F.
Keywords : TRANSFERASE, PROSTAGLANDIN D2 SYNTHASE, PGDS INHIBITORS, INDOLE, FOCUSED SCREENING, HIT VALIDATION
Exp. method : X-RAY DIFFRACTION ( 1.85 Å )
Citation :

Identification of Indole Inhibitors of Human Hematopoietic Prostaglandin D2 Synthase (Hh-Pgds).

Edfeldt, F.,Even, J.,Lepisto, M.  et al.
(2015)  Bioorg.Med.Chem.Lett.  25 : 2496

PubMed: 25978964
DOI: 10.1016/J.BMCL.2015.04.065

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