4KKO

Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 4-((4-methoxy-6-(2-morpholinoethoxy)-1,3,5-triazin-2-yl)amino)-2-((3-methylbut-2-en-1-yl)oxy)benzonitrile (JLJ513), a non-nucleoside inhibitor

4KKO の概要

• エントリーDOI: 10.2210/pdb4kko/pdb
• 関連するPDBエントリー: 1S9E 2ZD1 4H4M 4H4O 4KO0
• 分子名称: HIV-1 reverse transcriptase, p66 subunit, HIV-1 reverse transcriptase, p51 subunit, 4-({4-methoxy-6-[2-(morpholin-4-yl)ethoxy]-1,3,5-triazin-2-yl}amino)-2-(3-methylbutoxy)benzonitrile (3 entities in total)
• 機能のキーワード: polymerase, transferase, hydrolase/inhibitor, rnase, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• 由来する生物種: Human immunodeficiency virus type 1 (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: 114471.24

構造登録者

Frey, K.M.,Anderson, K.S. (登録日: 2013-05-06, 公開日: 2013-08-14, 最終更新日: 2023-09-20)

• 主引用文献: Bollini, M.,Frey, K.M.,Cisneros, J.A.,Spasov, K.A.,Das, K.,Bauman, J.D.,Arnold, E.,Anderson, K.S.,Jorgensen, W.L.; Extension into the entrance channel of HIV-1 reverse transcriptase-Crystallography and enhanced solubility.; Bioorg.Med.Chem.Lett., 23:5209-5212, 2013; PubMed: 23899617; DOI: 10.1016/j.bmcl.2013.06.093

実験手法

X-RAY DIFFRACTION (2.89 Å)