2WPC

Trypanosoma brucei trypanothione reductase in complex with 3,4- dihydroquinazoline inhibitor (DDD00073357)

2WPC の概要

• エントリーDOI: 10.2210/pdb2wpc/pdb
• 関連するPDBエントリー: 2WOI 2WOV 2WOW 2WP5 2WP6 2WPE 2WPF
• 分子名称: TRYPANOTHIONE REDUCTASE, FLAVIN-ADENINE DINUCLEOTIDE, (4S)-6-CHLORO-3-{2-[4-(FURAN-2-YLCARBONYL)PIPERAZIN-1-YL]ETHYL}-2-METHYL-4-PHENYL-3,4-DIHYDROQUINAZOLINE, ... (6 entities in total)
• 機能のキーワード: oxidoreductase, trypanosomiasis, sleeping sickness, flavoprotein, redox-active center
• 由来する生物種: TRYPANOSOMA BRUCEI
• タンパク質・核酸の鎖数: 4
• 化学式量合計: 219559.86

構造登録者

Alphey, M.S.,Patterson, S.,Fairlamb, A.H. (登録日: 2009-08-05, 公開日: 2010-10-13, 最終更新日: 2023-12-20)

• 主引用文献: Patterson, S.,Alphey, M.S.,Jones, D.C.,Shanks, E.J.,Street, I.P.,Frearson, J.A.,Wyatt, P.G.,Gilbert, I.H.,Fairlamb, A.H.; Dihydroquinazolines as a Novel Class of Trypanosoma Brucei Trypanothione Reductase Inhibitors: Discovery, Synthesis, and Characterization of Their Binding Mode by Protein Crystallography.; J.Med.Chem., 54:6514-, 2011; PubMed: 21851087; DOI: 10.1021/JM200312V

実験手法

X-RAY DIFFRACTION (2.1 Å)