3QLH

HIV-1 Reverse Transcriptase in Complex with Manicol at the RNase H Active Site and TMC278 (Rilpivirine) at the NNRTI Binding Pocket

3QLH の概要

• エントリーDOI: 10.2210/pdb3qlh/pdb
• 分子名称: reverse transcriptase/ribonuclease H, (2S)-5,7-dihydroxy-9-methyl-2-(prop-1-en-2-yl)-1,2,3,4-tetrahydro-6H-benzo[7]annulen-6-one, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, ... (8 entities in total)
• 機能のキーワード: rnase h inhibitor, structure-based drug design, tropolone derivatives, divalent cation chelator, non-nucleoside rt inhibitor, transferase, hydrolase-inhibitor complex, 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: 114195.65

構造登録者

Himmel, D.M.,Wojtak, K.,Bauman, J.D.,Arnold, E. (登録日: 2011-02-02, 公開日: 2011-12-21, 最終更新日: 2024-03-13)

• 主引用文献: Chung, S.,Himmel, D.M.,Jiang, J.K.,Wojtak, K.,Bauman, J.D.,Rausch, J.W.,Wilson, J.A.,Beutler, J.A.,Thomas, C.J.,Arnold, E.,Le Grice, S.F.; Synthesis, activity, and structural analysis of novel alpha-hydroxytropolone inhibitors of human immunodeficiency virus reverse transcriptase-associated ribonuclease H.; J.Med.Chem., 54:4462-4473, 2011; PubMed: 21568335; DOI: 10.1021/jm2000757

実験手法

X-RAY DIFFRACTION (2.7 Å)