7KRD

Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 4-(3-chloro-5-cyanophenoxy)-3-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenyl sulfurofluoridate (JLJ702)

7KRD の概要

• エントリーDOI: 10.2210/pdb7krd/pdb
• 分子名称: HIV-1 REVERSE TRANSCRIPTASE, P66 SUBUNIT, HIV-1 REVERSE TRANSCRIPTASE, P51 SUBUNIT, 4-(3-chloro-5-cyanophenoxy)-3-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenyl sulfurofluoridate (3 entities in total)
• 機能のキーワード: polymerase, reverse transcriptase, non-nucleoside inhibitor, transferase, hydrolase-inhibitor complex, hydrolase/inhibitor
• 由来する生物種: Human immunodeficiency virus type 1 group M subtype B (isolate BH10); 詳細
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 114510.57

構造登録者

Bertoletti, N.,Ippolito, J.A.,Jorgensen, W.L.,Anderson, K.S. (登録日: 2020-11-19, 公開日: 2021-01-13, 最終更新日: 2023-10-18)

• 主引用文献: Ippolito, J.A.,Niu, H.,Bertoletti, N.,Carter, Z.J.,Jin, S.,Spasov, K.A.,Cisneros, J.A.,Valhondo, M.,Cutrona, K.J.,Anderson, K.S.,Jorgensen, W.L.; Covalent Inhibition of Wild-Type HIV-1 Reverse Transcriptase Using a Fluorosulfate Warhead.; Acs Med.Chem.Lett., 12:249-255, 2021; PubMed: 33603971; DOI: 10.1021/acsmedchemlett.0c00612

実験手法

X-RAY DIFFRACTION (2.7 Å)