5IYT

Complex structure of EV-B93 main protease 3C with N-Ethyl 4-((1-cycloheptyl-1,2-dihydropyrazol-3-one-5-yl)-amino)-4-oxo-2Z-butenamide

5IYT の概要

• エントリーDOI: 10.2210/pdb5iyt/pdb
• 関連するPDBエントリー: 3Q3X 3Q3Y 3RUO
• 分子名称: EV-B93 main protease 3C, N-Ethyl 4-((1-cycloheptyl-1,2-dihydropyrazol-3-one-5-yl)-amino)-4-oxo-butanamide (3 entities in total)
• 機能のキーワード: 3c main protease, enterovirus b93, covalent inhibitor, hydrolase
• 由来する生物種: Echovirus 1 (strain Human/Egypt/Farouk/1951) (E-1)
• 細胞内の位置: Capsid protein VP0: Virion . Capsid protein VP4: Virion . Capsid protein VP2: Virion . Capsid protein VP3: Virion . Capsid protein VP1: Virion . Protein 2B: Host cytoplasmic vesicle membrane ; Peripheral membrane protein ; Cytoplasmic side . Protein 2C: Host cytoplasmic vesicle membrane ; Peripheral membrane protein ; Cytoplasmic side . Protein 3A: Host cytoplasmic vesicle membrane ; Peripheral membrane protein ; Cytoplasmic side . Protein 3AB: Host cytoplasmic vesicle membrane ; Peripheral membrane protein ; Cytoplasmic side . Viral protein genome-linked: Virion . Protease 3C: Host cytoplasm . Protein 3CD: Host cytoplasmic vesicle membrane ; Peripheral membrane protein ; Cytoplasmic side . RNA-directed RNA polymerase: Host cytoplasmic vesicle membrane ; Peripheral membrane protein ; Cytoplasmic side : O91734
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 43113.43

構造登録者

Kaczmarska, Z.,Becker, D.,Rademann, J.,Coll, M. (登録日: 2016-03-24, 公開日: 2016-10-05, 最終更新日: 2024-01-10)

• 主引用文献: Becker, D.,Kaczmarska, Z.,Arkona, C.,Schulz, R.,Tauber, C.,Wolber, G.,Hilgenfeld, R.,Coll, M.,Rademann, J.; Irreversible inhibitors of the 3C protease of Coxsackie virus through templated assembly of protein-binding fragments.; Nat Commun, 7:12761-12761, 2016; PubMed: 27677239; DOI: 10.1038/ncomms12761

実験手法

X-RAY DIFFRACTION (1.73 Å)