7UUB
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI12
Summary for 7UUB
Entry DOI | 10.2210/pdb7uub/pdb |
Descriptor | 3C-like proteinase nsp5, N-[(benzyloxy)carbonyl]-L-valyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methylidene-L-norvalinamide, DIMETHYL SULFOXIDE, ... (4 entities in total) |
Functional Keywords | main 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 | 1 |
Total formula weight | 34470.28 |
Authors | Yang, K.S.,Liu, W.R. (deposition date: 2022-04-28, release date: 2023-01-25, Last modification date: 2023-11-15) |
Primary citation | Yang, K.S.,Blankenship, L.R.,Kuo, S.A.,Sheng, Y.J.,Li, P.,Fierke, C.A.,Russell, D.H.,Yan, X.,Xu, S.,Liu, W.R. A Novel Y-Shaped, S-O-N-O-S-Bridged Cross-Link between Three Residues C22, C44, and K61 Is Frequently Observed in the SARS-CoV-2 Main Protease. Acs Chem.Biol., 18:449-455, 2023 Cited by PubMed: 36629751DOI: 10.1021/acschembio.2c00695 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.63 Å) |
Structure validation
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