7SO6

Crystal Structure of HIV-1 K103N, Y181C mutant Reverse Transcriptase in Complex with 5-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-7-fluoro-2-naphthonitrile (JLJ635), a Non-nucleoside Inhibitor

7SO6 の概要

• エントリーDOI: 10.2210/pdb7so6/pdb
• 分子名称: Reverse transcriptase/ribonuclease H, p51 RT, 5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-7-fluoronaphthalene-2-carbonitrile, ... (5 entities in total)
• 機能のキーワード: nnrtis, hiv-1, drug design, transferase, viral protein
• 由来する生物種: Human immunodeficiency virus type 1 group M subtype B; 詳細
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 114395.31

構造登録者

Bertoletti, N.,Frey, K.M.,Anderson, K.S.,Cisneros Trigo, J.A.,Jorgensen, W.L.,Chan, A.H. (登録日: 2021-10-29, 公開日: 2022-03-16, 最終更新日: 2023-10-18)

• 主引用文献: Frey, K.M.,Bertoletti, N.,Chan, A.H.,Ippolito, J.A.,Bollini, M.,Spasov, K.A.,Jorgensen, W.L.,Anderson, K.S.; Structural Studies and Structure Activity Relationships for Novel Computationally Designed Non-nucleoside Inhibitors and Their Interactions With HIV-1 Reverse Transcriptase.; Front Mol Biosci, 9:805187-805187, 2022; PubMed: 35237658; DOI: 10.3389/fmolb.2022.805187

実験手法

X-RAY DIFFRACTION (2.79 Å)