4RW9

Crystal Structure of HIV-1 Reverse Transcriptase (Y181C) variant in complex with (E)-3-(3-chloro-5-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)phenyl)acrylonitrile (JLJ532), a non-nucleoside inhibitor

4RW9 の概要

• エントリーDOI: 10.2210/pdb4rw9/pdb
• 関連するPDBエントリー: 1JKH 1JLA 1JLC 3BGR 4H4M 4H4O 4I2Q 4LSL 4MFB 4RW4 4RW6 4RW7 4RW8
• 分子名称: Reverse transcriptase/ribonuclease H, p66 subunit, Reverse transcriptase/ribonuclease H, p51 subunit, (2E)-3-(3-chloro-5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile (3 entities in total)
• 機能のキーワード: polymerase, transferase, rnaseh, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• 由来する生物種: Human immunodeficiency virus type 1 BH10 (HIV-1); 詳細
• 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 : P03366 P03366
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 114378.52

構造登録者

Frey, K.M.,Anderson, K.S. (登録日: 2014-12-01, 公開日: 2015-04-29, 最終更新日: 2023-09-20)

• 主引用文献: Frey, K.M.,Puleo, D.E.,Spasov, K.A.,Bollini, M.,Jorgensen, W.L.,Anderson, K.S.; Structure-Based Evaluation of Non-nucleoside Inhibitors with Improved Potency and Solubility That Target HIV Reverse Transcriptase Variants.; J.Med.Chem., 58:2737-2745, 2015; PubMed: 25700160; DOI: 10.1021/jm501908a

実験手法

X-RAY DIFFRACTION (2.986 Å)