2FLE

Structural analysis of asymmetric inhibitor bound to the HIV-1 Protease V82A mutant

2FLE の概要

• エントリーDOI: 10.2210/pdb2fle/pdb
• 分子名称: pol protein, GLYCEROL, (2S,2'S)-N,N'-[(2S,3S,4S,5S)-1-CYCLOHEXYL-3,4-DIHYDROXY-6-PHENYLHEXANE-2,5-DIYL]BIS[3-METHYL-2-({[METHYL(PYRIDIN-2-YLMETHYL)AMINO]CARBONYL}AMINO)BUTANAMIDE], ... (4 entities in total)
• 機能のキーワード: hiv-1 protease, inhibitor, resistance, induced fit, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• 由来する生物種: Human immunodeficiency virus 1
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 22388.50

構造登録者

Clemente, J.C.,Robbins, A.,Dunn, B.M.,Sussman, F. (登録日: 2006-01-05, 公開日: 2007-01-16, 最終更新日: 2023-08-30)

• 主引用文献: Clemente, J.C.,Robbins, A.,Grana, P.,Paleo, M.R.,Correa, J.F.,Villaverde, M.C.,Sardina, F.J.,Govindasamy, L.,Agbandje-McKenna, M.,McKenna, R.,Dunn, B.M.,Sussman, F.; Design, synthesis, evaluation, and crystallographic-based structural studies of HIV-1 protease inhibitors with reduced response to the V82A mutation.; J.Med.Chem., 51:852-860, 2008; PubMed: 18215016; DOI: 10.1021/jm701170f

実験手法

X-RAY DIFFRACTION (1.9 Å)