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7JT7

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

Summary for 7JT7
Entry DOI10.2210/pdb7jt7/pdb
Descriptor3C-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 (3 entities in total)
Functional Keywordssars-cov-2 3cl protease, viral protein, hydrolase-inhibitor complex, hydrolase/inhibitor
Biological sourceSevere acute respiratory syndrome coronavirus 2 (2019-nCoV, SARS-CoV-2, COVID-19 virus)
Total number of polymer chains1
Total formula weight34458.33
Authors
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. (deposition date: 2020-08-17, release date: 2021-03-17, Last modification date: 2023-10-18)
Primary citationIketani, 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: 33795671
DOI: 10.1038/s41467-021-22362-2
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (1.94 Å)
Structure validation

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