3SJI

crystal structure of CVA16 3C in complex with Rupintrivir (AG7088)

3SJI の概要

• エントリーDOI: 10.2210/pdb3sji/pdb
• 関連するPDBエントリー: 1CQQ 1L1N 2ZTY 3SJ8 3SJ9 3SJK 3SJO
• 分子名称: 3C protease, 4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-4-OXO-HEPTANOYLAMINO}-5-(2-OXO-PYRROLIDIN-3-YL)-PENTANOIC ACID ETHYL ESTER, SODIUM ION, ... (4 entities in total)
• 機能のキーワード: in complex with rupintrivir, chymotrypsin-like fold, protease, c147 covalently binds to rupintrivir, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• 由来する生物種: Human coxsackievirus A16
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 21713.85

構造登録者

Lu, G.,Qi, J.,Chen, Z.,Xu, X.,Gao, F.,Lin, D.,Qian, W.,Liu, H.,Jiang, H.,Yan, J.,Gao, G.F. (登録日: 2011-06-21, 公開日: 2011-08-10, 最終更新日: 2023-09-13)

• 主引用文献: Lu, G.,Qi, J.,Chen, Z.,Xu, X.,Gao, F.,Lin, D.,Qian, W.,Liu, H.,Jiang, H.,Yan, J.,Gao, G.F.; Enterovirus 71 and Coxsackievirus A16 3C Proteases: Binding to Rupintrivir and Their Substrates and Anti-Hand, Foot, and Mouth Disease Virus Drug Design.; J.Virol., 85:10319-10331, 2011; PubMed: 21795339; DOI: 10.1128/JVI.00787-11

実験手法

X-RAY DIFFRACTION (1.798 Å)