4TVG

HIV Protease (PR) dimer in closed form with pepstatin in active site and fragment AK-2097 in the outside/top of flap

4TVG の概要

• エントリーDOI: 10.2210/pdb4tvg/pdb
• 関連するPDBエントリー: 4TVH
• 関連するBIRD辞書のPRD_ID: PRD_000557
• 分子名称: HIV Protease, Pepstatin, 3-(morpholin-4-ylmethyl)-1H-indole-6-carboxylic acid, ... (5 entities in total)
• 機能のキーワード: apo protease, allostery, fragment binding, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• 由来する生物種: Human immunodeficiency virus 1; 詳細
• タンパク質・核酸の鎖数: 3
• 化学式量合計: 22701.94

構造登録者

Tiefenbrunn, T.,Kislukhin, A.,Finn, M.G.,Stout, C.D. (登録日: 2014-06-26, 公開日: 2014-09-24, 最終更新日: 2023-11-15)

• 主引用文献: Deng, N.,Forli, S.,He, P.,Perryman, A.,Wickstrom, L.,Vijayan, R.S.,Tiefenbrunn, T.,Stout, D.,Gallicchio, E.,Olson, A.J.,Levy, R.M.; Distinguishing Binders from False Positives by Free Energy Calculations: Fragment Screening Against the Flap Site of HIV Protease.; J.Phys.Chem.B, 119:976-988, 2015; PubMed: 25189630; DOI: 10.1021/jp506376z

実験手法

X-RAY DIFFRACTION (2.18 Å)