3GW9

Crystal structure of sterol 14-alpha demethylase (CYP51) from Trypanosoma brucei bound to an inhibitor N-(1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl)-4-(5-phenyl-1,3,4-oxaziazol-2-yl)benzamide

Summary for 3GW9

• Entry DOI: 10.2210/pdb3gw9/pdb
• Related: 3G1Q
• Descriptor: STEROL 14ALPHA-DEMETHYLASE, PROTOPORPHYRIN IX CONTAINING FE, N-[(1R)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide, ... (4 entities in total)
• Functional Keywords: sterol 14alpha-demethylase, cyp51, cytochrome p450, heme, oxidoreductase, monooxygenase, sterol biosynthesis, lipids, endoplasmic reticulum, iron, heme-thiolate protein
• Biological source: Trypanosoma brucei
• Total number of polymer chains: 4
• Total formula weight: 208556.45

Authors

Lepesheva, G.I.,Hargrove, T.Y.,Harp, J.,Wawrzak, Z.,Waterman, M.R. (deposition date: 2009-03-31, release date: 2009-11-17, Last modification date: 2023-09-06)

• Primary citation: Lepesheva, G.I.,Park, H.W.,Hargrove, T.Y.,Vanhollebeke, B.,Wawrzak, Z.,Harp, J.M.,Sundaramoorthy, M.,Nes, W.D.,Pays, E.,Chaudhuri, M.,Villalta, F.,Waterman, M.R.; Crystal structures of Trypanosoma brucei sterol 14alpha-demethylase and implications for selective treatment of human infections.; J.Biol.Chem., 285:1773-1780, 2010; PubMed: 19923211; DOI: 10.1074/jbc.M109.067470

Experimental method

X-RAY DIFFRACTION (1.87 Å)