4GHQ

Crystal structure of EV71 3C proteinase

4GHQ の概要

• エントリーDOI: 10.2210/pdb4ghq/pdb
• 関連するPDBエントリー: 4GHT 4GHV 4GHX 4GHY 4GHZ
• 分子名称: 3C proteinase (2 entities in total)
• 機能のキーワード: hydrolase, cysteine proteinase
• 由来する生物種: Human enterovirus 71
• 細胞内の位置: Picornain 3C: Host cytoplasm (By similarity). Protein 3B: Virion (By similarity): A9XG43
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 21391.48

構造登録者

Chen, C.,Wu, C.,Cai, Q.,Li, N.,Peng, X.,Cai, Y.,Yin, K.,Chen, X.,Wang, X.,Zhang, R.,Liu, L.,Chen, S.,Li, J.,Lin, T. (登録日: 2012-08-08, 公開日: 2013-06-26, 最終更新日: 2023-11-08)

主引用文献

Wu, C.,Cai, Q.,Chen, C.,Li, N.,Peng, X.,Cai, Y.,Yin, K.,Chen, X.,Wang, X.,Zhang, R.,Liu, L.,Chen, S.,Li, J.,Lin, T.
Structures of Enterovirus 71 3C proteinase (strain E2004104-TW-CDC) and its complex with rupintrivir
Acta Crystallogr.,Sect.D, 69:866-871, 2013

PubMed Abstract: The crystal structure of 3C proteinase (3C(pro)) from Enterovirus 71 (EV71) was determined in space group C2221 to 2.2 Å resolution. The fold was similar to that of 3C(pro) from other picornaviruses, but the difference in the β-ribbon reported in a previous structure was not observed. This β-ribbon was folded over the substrate-binding cleft and constituted part of the essential binding sites for interaction with the substrate. The structure of its complex with rupintrivir (AG7088), a peptidomimetic inhibitor, was also characterized in space group P212121 to 1.96 Å resolution. The inhibitor was accommodated without any spatial hindrance despite the more constricted binding site; this was confirmed by functional assays, in which the inhibitor showed comparable potency towards EV71 3C(pro) and human rhinovirus 3C(pro), which is the target that rupintrivir was designed against.

PubMed: 23633597
DOI: 10.1107/S0907444913002862

実験手法

X-RAY DIFFRACTION (2.2 Å)