7UJU

Room-temperature X-ray structure of monomeric SARS-CoV-2 main protease catalytic domain (MPro1-196) in complex with nirmatrelvir

7UJU の概要

• エントリーDOI: 10.2210/pdb7uju/pdb
• 関連するPDBエントリー: 7UJG
• 分子名称: 3C-like proteinase nsp5, (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide (3 entities in total)
• 機能のキーワード: cysteine protease, catalytic domain, viral enzyme, hydrolase, hydrolase-inhibitor complex, hydrolase/inhibitor
• 由来する生物種: Severe acute respiratory syndrome coronavirus 2
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 44296.55

構造登録者

Kovalevsky, A.,Kneller, D.W.,Coates, L. (登録日: 2022-03-31, 公開日: 2022-10-05, 最終更新日: 2023-10-18)

• 主引用文献: Nashed, N.T.,Kneller, D.W.,Coates, L.,Ghirlando, R.,Aniana, A.,Kovalevsky, A.,Louis, J.M.; Autoprocessing and oxyanion loop reorganization upon GC373 and nirmatrelvir binding of monomeric SARS-CoV-2 main protease catalytic domain.; Commun Biol, 5:976-976, 2022; PubMed: 36114420; DOI: 10.1038/s42003-022-03910-y

実験手法

X-RAY DIFFRACTION (1.85 Å)