3ZG2

Sterol 14 alpha-demethylase (CYP51) from Trypanosoma cruzi in complex with the pyridine inhibitor (S)-2-(4-chlorophenyl)-2-(pyridin-3-yl)-1- (4-(4-(trifluoromethyl)phenyl)piperazin-1-yl)ethanone (EPL-BS1246,UDO)

3ZG2 の概要

• エントリーDOI: 10.2210/pdb3zg2/pdb
• 関連するPDBエントリー: 3ZG3
• 分子名称: STEROL 14-ALPHA DEMETHYLASE, PROTOPORPHYRIN IX CONTAINING FE, (S)-2-(4-chlorophenyl)-2-pyridin-3-yl-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone, ... (4 entities in total)
• 機能のキーワード: oxidoreductase, monooxygenase, sterol biosynthesis, eukaryotic membranes, cytochrome p450 fold, endoplasmic reticulum membrane, inhibitor
• 由来する生物種: TRYPANOSOMA CRUZI
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 53629.28

構造登録者

Hargrove, T.Y.,Wawrzak, Z.,Keenan, M.,Chatelain, E.,Lepesheva, G.I. (登録日: 2012-12-14, 公開日: 2013-09-25, 最終更新日: 2023-12-20)

• 主引用文献: Hargrove, T.Y.,Wawrzak, Z.,Alexander, P.W.,Chaplin, J.H.,Keenan, M.,Charman, S.A.,Perez, C.J.,Waterman, M.R.,Chatelain, E.,Lepesheva, G.I.; Complexes of Trypanosoma Cruzi Sterol 14Alpha-Demethylase (Cyp51) with Two Pyridine-Based Drug Candidates for Chagas Disease: Structural Basis for Pathogen-Selectivity; J.Biol.Chem., 288:31602-, 2013; PubMed: 24047900; DOI: 10.1074/JBC.M113.497990

実験手法

X-RAY DIFFRACTION (2.8 Å)