4G3J

Sterol 14-alpha demethylase (CYP51) from Trypanosoma brucei in complex with the VNI derivative (R)-N-(1-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethyl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide [R-VNI-triazole (VNT)]

4G3J の概要

• エントリーDOI: 10.2210/pdb4g3j/pdb
• 関連するPDBエントリー: 3GW9 4G7G
• 分子名称: sterol 14-alpha-demethylase, PROTOPORPHYRIN IX CONTAINING FE, N-[(1R)-1-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide, ... (4 entities in total)
• 機能のキーワード: cytochrome p450 fold, heme, monooxygenase, sterol biosynthesis, eukaryotic membrane biogenesis, cytochrome p450 reductase, endoplasmic reticulum membrane, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor
• 由来する生物種: Trypanosoma brucei
• タンパク質・核酸の鎖数: 4
• 化学式量合計: 207526.98

構造登録者

Hargrove, T.Y.,Wawrzak, Z.,Waterman, M.R.,Lepesheva, G.I. (登録日: 2012-07-14, 公開日: 2013-07-17, 最終更新日: 2023-09-13)

• 主引用文献: 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; PubMed: 25883390; DOI: 10.1093/infdis/jiv228

実験手法

X-RAY DIFFRACTION (1.83 Å)