5AIS

Complex of human hematopoietic prostagandin D2 synthase (hH-PGDS) in complex with an active site inhibitor.

Summary for 5AIS

• Entry DOI: 10.2210/pdb5ais/pdb
• Related: 5AIV
• Descriptor: HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE, 4-(dimethylamino)-N-[5-(1H-indol-4-yl)pyridin-3-yl]butanamide, GLUTATHIONE, ... (5 entities in total)
• Functional Keywords: transferase, prostaglandin d2 synthase, pgds inhibitors, indole, focused screening, hit validation
• Biological source: HOMO SAPIENS (HUMAN)
• Cellular location: Cytoplasm : O60760
• Total number of polymer chains: 4
• Total formula weight: 96078.64

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. (deposition date: 2015-02-17, release date: 2015-06-03, Last modification date: 2015-06-10)

• Primary citation: Edfeldt, F.,Even, J.,Lepisto, M.,Ward, A.,Petersen, J.,Wissler, L.,Rohman, M.,Sivars, U.,Svensson, K.,Perry, M.,Feierberg, I.,Zhou, X.H.,Hansson, T.,Narjes, F.; Identification of Indole Inhibitors of Human Hematopoietic Prostaglandin D2 Synthase (Hh-Pgds).; Bioorg.Med.Chem.Lett., 25:2496-, 2015; PubMed: 25978964; DOI: 10.1016/J.BMCL.2015.04.065

Experimental method

X-RAY DIFFRACTION (1.85 Å)