3ZFF

Human enterovirus 71 in complex with capsid binding inhibitor WIN51711

3ZFF の概要

• エントリーDOI: 10.2210/pdb3zff/pdb
• 関連するPDBエントリー: 3ZFE 3ZFG
• 分子名称: VP1, VP2, VP3, ... (5 entities in total)
• 機能のキーワード: virus, inhibitor, capsid, picornavirus
• 由来する生物種: HUMAN ENTEROVIRUS 71; 詳細
• 細胞内の位置: Picornain 3C: Host cytoplasm (By similarity). Protein 3B: Virion (By similarity): A9X4C2 A9X4C2 A9X4C2 A9X4C2
• タンパク質・核酸の鎖数: 4
• 化学式量合計: 94943.89

構造登録者

Plevka, P.,Perera, R.,Yap, M.L.,Cardosa, J.,Kuhn, R.J.,Rossmann, M.G. (登録日: 2012-12-11, 公開日: 2013-03-27, 最終更新日: 2023-12-20)

主引用文献

Plevka, P.,Perera, R.,Yap, M.L.,Cardosa, J.,Kuhn, R.J.,Rossmann, M.G.
Structure of Human Enterovirus 71 in Complex with a Capsid-Binding Inhibitor.
Proc.Natl.Acad.Sci.USA, 110:5463-, 2013

PubMed Abstract: Human enterovirus 71 is a picornavirus causing hand, foot, and mouth disease that may progress to fatal encephalitis in infants and small children. As of now, no cure is available for enterovirus 71 infections. Small molecule inhibitors binding into a hydrophobic pocket within capsid viral protein 1 were previously shown to effectively limit infectivity of many picornaviruses. Here we report a 3.2-Å-resolution X-ray structure of the enterovirus 71 virion complexed with the capsid-binding inhibitor WIN 51711. The inhibitor replaced the natural pocket factor within the viral protein 1 pocket without inducing any detectable rearrangements in the structure of the capsid. Furthermore, we show that the compound stabilizes enterovirus 71 virions and limits its infectivity, probably through restricting dynamics of the capsid necessary for genome release. Thus, our results provide a structural basis for development of antienterovirus 71 capsid-binding drugs.

PubMed: 23509286
DOI: 10.1073/PNAS.1222379110

実験手法

X-RAY DIFFRACTION (3.4 Å)