4G7G
Sterol 14-alpha demethylase (CYP51) from Trypanosoma brucei in complex with the VNI derivative (R)-N-(1-(3,4'-difluorobiphenyl-4-yl)-2-(1H-imidazol-1-yl)ethyl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide [VNI/VNF (VFV)]
Summary for 4G7G
Entry DOI | 10.2210/pdb4g7g/pdb |
Related | 3GW9 4G3J |
Descriptor | sterol 14-alpha-demethylase, PROTOPORPHYRIN IX CONTAINING FE, N-[(1R)-1-(3,4'-difluorobiphenyl-4-yl)-2-(1H-imidazol-1-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide, ... (4 entities in total) |
Functional Keywords | cytochrome p450 fold, heme, monooxygenase, sterol biosynthesis, eukaryotic membrane biogenesis, cytochrome p450 reductase, endoplasmic reticulum membrane, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor |
Biological source | Trypanosoma brucei |
Total number of polymer chains | 4 |
Total formula weight | 207695.77 |
Authors | Hargrove, T.Y.,Wawrzak, Z.,Waterman, M.R.,Lepesheva, G.I. (deposition date: 2012-07-20, release date: 2013-07-24, Last modification date: 2023-09-13) |
Primary citation | Lepesheva, G.I.,Hargrove, T.Y.,Rachakonda, G.,Wawrzak, Z.,Pomel, S.,Cojean, S.,Nde, P.N.,Nes, W.D.,Locuson, C.W.,Calcutt, M.W.,Waterman, M.R.,Daniels, J.S.,Loiseau, P.M.,Villalta, F. VFV as a New Effective CYP51 Structure-Derived Drug Candidate for Chagas Disease and Visceral Leishmaniasis. J Infect Dis, 212:1439-1448, 2015 Cited by PubMed: 25883390DOI: 10.1093/infdis/jiv228 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.05 Å) |
Structure validation
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