4ZRO

2.1 A X-Ray Structure of FIPV-3CLpro bound to covalent inhibitor

4ZRO の概要

• エントリーDOI: 10.2210/pdb4zro/pdb
• 関連するBIRD辞書のPRD_ID: PRD_002174
• 分子名称: 3C-like proteinase, Bounded inhibitor of N-(tert-butoxycarbonyl)-L-seryl-L-valyl-N-{(2S)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-L-leucinamide, DIMETHYL SULFOXIDE, ... (4 entities in total)
• 機能のキーワード: coronavirus, main protease, 3clpro, mpro, fipv, fcov, inhibitor complex, feline infectious peritonitis, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• 由来する生物種: Feline coronavirus (strain FIPV WSU-79/1146) (FCoV); 詳細
• タンパク質・核酸の鎖数: 8
• 化学式量合計: 133587.53

構造登録者

St John, S.E.,Mesecar, A.D. (登録日: 2015-05-12, 公開日: 2015-10-14, 最終更新日: 2019-12-11)

• 主引用文献: St John, S.E.,Therkelsen, M.D.,Nyalapatla, P.R.,Osswald, H.L.,Ghosh, A.K.,Mesecar, A.D.; X-ray structure and inhibition of the feline infectious peritonitis virus 3C-like protease: Structural implications for drug design.; Bioorg.Med.Chem.Lett., 25:5072-5077, 2015; PubMed: 26592814; DOI: 10.1016/j.bmcl.2015.10.023

実験手法

X-RAY DIFFRACTION (2.0566 Å)