3SJO

structure of EV71 3C in complex with Rupintrivir (AG7088)

Summary for 3SJO

• Entry DOI: 10.2210/pdb3sjo/pdb
• Related: 1CQQ 1L1N 2ZTY 3SJ8 3SJ9 3SJI 3SJK
• Descriptor: 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 (3 entities in total)
• Functional Keywords: in complex with rupintrivir, chymotrypsin-like fold, protease, c147 covalently binds to rupintrivir, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: Human enterovirus 71
• Total number of polymer chains: 8
• Total formula weight: 173999.10

Authors

Lu, G.,Qi, J.,Chen, Z.,Xu, X.,Gao, F.,Lin, D.,Qian, W.,Liu, H.,Jiang, H.,Yan, J.,Gao, G.F. (deposition date: 2011-06-21, release date: 2011-08-10, Last modification date: 2023-09-13)

• Primary citation: 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

Experimental method

X-RAY DIFFRACTION (1.702 Å)