5FRB

Crystal structure of sterol 14-alpha demethylase (CYP51B) from a pathogenic filamentous fungus Aspergillus fumigatus in complex with a tetrazole-based inhibitor VT-1598

5FRB の概要

• エントリーDOI: 10.2210/pdb5frb/pdb
• 分子名称: STEROL 14-ALPHA DEMETHYLASE, CYP51B, PROTOPORPHYRIN IX CONTAINING FE, (R)-4-((4-((6-(2-(2,4-difluorophenyl)-1,1-difluoro-2-hydroxy-3-(1H-tetrazol-1-yl)propyl)pyridin-3-yl)ethynyl)phenoxy)methyl)benzonitrile (3 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
• 由来する生物種: ASPERGILLUS FUMIGATUS
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 54784.29

構造登録者

Hargrove, T.Y.,Wawrzak, Z.,Lepesheva, G.I. (登録日: 2015-12-16, 公開日: 2017-04-26, 最終更新日: 2024-01-10)

• 主引用文献: Hargrove, T.Y.,Garvey, E.P.,Hoekstra, W.J.,Yates, C.M.,Wawrzak, Z.,Rachakonda, G.,Villalta, F.,Lepesheva, G.I.; Crystal Structure of the New Investigational Drug Candidate VT-1598 in Complex with Aspergillus fumigatus Sterol 14 alpha-Demethylase Provides Insights into Its Broad-Spectrum Antifungal Activity.; Antimicrob. Agents Chemother., 61:-, 2017; PubMed: 28461309; DOI: 10.1128/AAC.00570-17

実験手法

X-RAY DIFFRACTION (2.99 Å)