3VFA

Crystal Structure of HIV-1 Protease Mutant V82A with novel P1'-Ligands GRL-02031

3VFA の概要

• エントリーDOI: 10.2210/pdb3vfa/pdb
• 関連するPDBエントリー: 3H5B 3VF5 3VF7 3VFB
• 分子名称: protease, (3aS,5R,6aR)-hexahydro-2H-cyclopenta[b]furan-5-yl [(1S,2R)-1-benzyl-2-hydroxy-3-([(4-methoxyphenyl)sulfonyl]{[(2R)-5-oxopyrrolidin-2-yl]methyl}amino)propyl]carbamate, SODIUM ION, ... (5 entities in total)
• 機能のキーワード: protease inhibitor, p1'-ligand, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• 由来する生物種: Human immunodeficiency virus type 1 lw12.3 isolate (HIV-1)
• 細胞内の位置: Gag-Pol polyprotein: Host cell membrane; Lipid-anchor. Matrix protein p17: Virion membrane; Lipid- anchor . Capsid protein p24: Virion . Nucleocapsid protein p7: Virion . Reverse transcriptase/ribonuclease H: Virion . Integrase: Virion : P0C6F2
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 22333.57

構造登録者

Yu, X.X.,Wang, Y.F.,Chang, Y.C.E.,Weber, I.T. (登録日: 2012-01-09, 公開日: 2012-11-21, 最終更新日: 2023-09-13)

• 主引用文献: Chang, Y.C.,Yu, X.,Zhang, Y.,Tie, Y.,Wang, Y.F.,Yashchuk, S.,Ghosh, A.K.,Harrison, R.W.,Weber, I.T.; Potent antiviral HIV-1 protease inhibitor GRL-02031 adapts to the structures of drug resistant mutants with its P1'-pyrrolidinone ring.; J.Med.Chem., 55:3387-3397, 2012; PubMed: 22401672; DOI: 10.1021/jm300072d

実験手法

X-RAY DIFFRACTION (1.43 Å)