5AJR

Sterol 14-alpha demethylase (CYP51) from Trypanosoma cruzi in complex with the 1-tetrazole derivative VT-1161 ((R)-2-(2,4-Difluorophenyl)-1, 1-difluoro-3-(1H-tetrazol-1-yl)-1-(5-(4-(2,2,2-trifluoroethoxy)phenyl) pyridin-2-yl)propan-2-ol)

5AJR の概要

• エントリーDOI: 10.2210/pdb5ajr/pdb
• 分子名称: STEROL 14-ALPHA DEMETHYLASE, PROTOPORPHYRIN IX CONTAINING FE, (R)-2-(2,4-Difluorophenyl)-1,1-difluoro-3-(1H-tetrazol-1-yl)-1-(5-(4-(2,2,2-trifluoroethoxy)phenyl)pyridin-2-yl)propan-2-ol (3 entities in total)
• 機能のキーワード: cytochrome p450, cyp51, oxidoreductase, monooxygenase, sterol biosynthesis, eukaryotic membranes, cytochrome p450 fold, endoplasmic reticulum membrane
• 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: 53696.78

構造登録者

Wawrzak, Z.,Hoekstra, W.,I Lepesheva, G. (登録日: 2015-02-26, 公開日: 2015-12-02, 最終更新日: 2024-01-10)

• 主引用文献: Hoekstra, W.J.,Hargrove, T.Y.,Wawrzak, Z.,Da Gama Jaen Batista, D.,Da Silva, C.F.,Nefertiti, A.S.G.,Rachakonda, G.,Schotzinger, R.J.,Villalta, F.,Soeiro, M.D.N.C.,Lepesheva, G.I.; Clinical Candidate Vt-1161'S Antiparasitic Effect in Vitro, Activity in a Murine Model of Chagas Disease, and Structural Characterization in Complex with the Target Enzyme Cyp51 from Trypanosoma Cruzi.; Antimicrob.Agents Chemother., 60:1058-, 2015; PubMed: 26643331; DOI: 10.1128/AAC.02287-15

実験手法

X-RAY DIFFRACTION (2.75 Å)