7JW8
Crystal structure of SARS-CoV-2 3CL protease in complex with compound 4 in space group P1
Summary for 7JW8
Entry DOI | 10.2210/pdb7jw8/pdb |
Descriptor | 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) |
Functional Keywords | sars-cov-2 3cl protease, viral protein, hydrolase-inhibitor complex, hydrolase/inhibitor |
Biological source | Severe acute respiratory syndrome coronavirus 2 (2019-nCoV, SARS-CoV-2, COVID-19 virus) |
Total number of polymer chains | 4 |
Total formula weight | 138251.82 |
Authors | 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. (deposition date: 2020-08-25, release date: 2021-03-10, Last modification date: 2023-10-18) |
Primary citation | 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 Cited by PubMed: 33795671DOI: 10.1038/s41467-021-22362-2 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.84 Å) |
Structure validation
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