4H6O

Sterol 14-alpha demethylase (CYP51)from Trypanosoma cruzi in complex with the inhibitor NEU321 (1-(3-(4-chloro-3,5-dimethylphenoxy)benzyl)-1H-imidazole

4H6O の概要

• エントリーDOI: 10.2210/pdb4h6o/pdb
• 関連するPDBエントリー: 3k1o 3ksw
• 分子名称: Sterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE, 1-[3-(4-chloro-3,5-dimethylphenoxy)benzyl]-1H-imidazole, ... (4 entities in total)
• 機能のキーワード: sterol 14-alpha demethylase (cyp51), cytochrome p450, heme, oxidoreductase, monooxygenase, sterol biosynthesis, eukaryotic membranes, cytochrome p450 fold, endoplasmic reticulum membrane, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor
• 由来する生物種: Trypanosoma cruzi
• 細胞内の位置: Membrane ; Single-pass membrane protein : Q7Z1V1
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 53613.38

構造登録者

Wawrzak, Z.,Hargrove, T.Y.,Pollastri, M.P.,Lepesheva, G.I. (登録日: 2012-09-19, 公開日: 2013-03-20, 最終更新日: 2023-09-20)

• 主引用文献: Andriani, G.,Amata, E.,Beatty, J.,Clements, Z.,Coffey, B.J.,Courtemanche, G.,Devine, W.,Erath, J.,Juda, C.E.,Wawrzak, Z.,Wood, J.T.,Lepesheva, G.I.,Rodriguez, A.,Pollastri, M.P.; Antitrypanosomal Lead Discovery: Identification of a Ligand-Efficient Inhibitor of Trypanosoma cruzi CYP51 and Parasite Growth.; J.Med.Chem., 56:2556-2567, 2013; PubMed: 23448316; DOI: 10.1021/jm400012e

実験手法

X-RAY DIFFRACTION (2.8 Å)