6AYC

Naegleria fowleri CYP51-itraconazole complex

6AYC の概要

• エントリーDOI: 10.2210/pdb6ayc/pdb
• 関連するPDBエントリー: 5TL8 6AY4 6AY6 6AYB
• 分子名称: Protein CYP51, PROTOPORPHYRIN IX CONTAINING FE, 2-[(2R)-butan-2-yl]-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one, ... (4 entities in total)
• 機能のキーワード: cyp51, sterol 14alpha-demethylase, oxidoreductase
• 由来する生物種: Naegleria fowleri (Brain eating amoeba)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 54882.11

構造登録者

Debnath, A.,Calvet, C.M.,Jennings, G.,Zhou, W.,Aksenov, A.,Luth, M.,Abagyan, R.,Nes, W.D.,McKerrow, J.H.,Podust, L.M. (登録日: 2017-09-08, 公開日: 2017-11-22, 最終更新日: 2023-10-04)

• 主引用文献: Debnath, A.,Calvet, C.M.,Jennings, G.,Zhou, W.,Aksenov, A.,Luth, M.R.,Abagyan, R.,Nes, W.D.,McKerrow, J.H.,Podust, L.M.; CYP51 is an essential drug target for the treatment of primary amoebic meningoencephalitis (PAM).; PLoS Negl Trop Dis, 11:e0006104-e0006104, 2017; PubMed: 29284029; DOI: 10.1371/journal.pntd.0006104

実験手法

X-RAY DIFFRACTION (2.6 Å)