4HE9

Crystal Structure of HIV-1 protease mutants I54M complexed with inhibitor GRL-0519

4HE9 の概要

• エントリーDOI: 10.2210/pdb4he9/pdb
• 関連するPDBエントリー: 3OK9 4HDB 4HDF 4HDP 4HEG
• 分子名称: HIV-1 protease, (3R,3aS,3bR,6aS,7aS)-octahydrodifuro[2,3-b:3',2'-d]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate, SODIUM ION, ... (5 entities in total)
• 機能のキーワード: aspartic acid protease, drug resistance, hiv-1 protease inhibitor grl-0519, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• 由来する生物種: Human immunodeficiency virus type 1 (HIV-1)
• 細胞内の位置: Matrix protein p17: Virion (Potential). Capsid protein p24: Virion (Potential). Nucleocapsid protein p7: Virion (Potential). Reverse transcriptase/ribonuclease H: Virion (Potential). Integrase: Virion (Potential): P03367
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 22322.40

構造登録者

Shen, C.H.,Zhang, H.,Weber, I.T. (登録日: 2012-10-03, 公開日: 2013-08-21, 最終更新日: 2023-09-20)

• 主引用文献: Zhang, H.,Wang, Y.F.,Shen, C.H.,Agniswamy, J.,Rao, K.V.,Xu, C.X.,Ghosh, A.K.,Harrison, R.W.,Weber, I.T.; Novel P2 tris-tetrahydrofuran group in antiviral compound 1 (GRL-0519) fills the S2 binding pocket of selected mutants of HIV-1 protease.; J.Med.Chem., 56:1074-1083, 2013; PubMed: 23298236; DOI: 10.1021/jm301519z

実験手法

X-RAY DIFFRACTION (1.06 Å)