7JW8

Crystal structure of SARS-CoV-2 3CL protease in complex with compound 4 in space group P1

7JW8 の概要

• エントリーDOI: 10.2210/pdb7jw8/pdb
• 分子名称: 3C-like proteinase, ethyl (4R)-4-[[(2S)-4-methyl-2-[[(2S,3R)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-[(3S)-2-oxidanylidenepyrrolidin-3-yl]pentanoate, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... (4 entities in total)
• 機能のキーワード: sars-cov-2 3cl protease, viral protein, hydrolase-inhibitor complex, hydrolase/inhibitor
• 由来する生物種: Severe acute respiratory syndrome coronavirus 2 (2019-nCoV, SARS-CoV-2, COVID-19 virus)
• タンパク質・核酸の鎖数: 4
• 化学式量合計: 138251.82

構造登録者

Iketani, S.,Forouhar, F.,Liu, H.,Hong, S.J.,Lin, F.-Y.,Nair, M.S.,Zask, A.,Xing, L.,Stockwell, B.R.,Chavez, A.,Ho, D.D. (登録日: 2020-08-25, 公開日: 2021-03-10, 最終更新日: 2023-10-18)

• 主引用文献: Iketani, S.,Forouhar, F.,Liu, H.,Hong, S.J.,Lin, F.Y.,Nair, M.S.,Zask, A.,Huang, Y.,Xing, L.,Stockwell, B.R.,Chavez, A.,Ho, D.D.; Lead compounds for the development of SARS-CoV-2 3CL protease inhibitors.; Nat Commun, 12:2016-2016, 2021; PubMed: 33795671; DOI: 10.1038/s41467-021-22362-2

実験手法

X-RAY DIFFRACTION (1.84 Å)