8E5C
Crystal Structure of SARS CoV-2 Mpro mutant L50F with Nirmatrelvir captured in two conformational states
Summary for 8E5C
| Entry DOI | 10.2210/pdb8e5c/pdb |
| Descriptor | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, (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, ... (6 entities in total) |
| Functional Keywords | coronavirus, covid-19, covid, protease, drug resistance, complex, hydrolase, durg discovery, main protease, mpro, substrate complex, pfizer iv compound, l50f, nirmatrelvir, viral protein, viral protein-hydrolase-inhibitor complex, hydrolase-inhibitor complex, hydrolase/inhibitor |
| Biological source | Severe acute respiratory syndrome coronavirus 2 |
| Total number of polymer chains | 1 |
| Total formula weight | 34718.99 |
| Authors | Shaqra, A.M.,Schiffer, C.A. (deposition date: 2022-08-20, release date: 2024-02-07, Last modification date: 2024-04-24) |
| Primary citation | Flynn, J.M.,Zvornicanin, S.N.,Tsepal, T.,Shaqra, A.M.,Kurt Yilmaz, N.,Jia, W.,Moquin, S.,Dovala, D.,Schiffer, C.A.,Bolon, D.N.A. Contributions of Hyperactive Mutations in M pro from SARS-CoV-2 to Drug Resistance. Acs Infect Dis., 10:1174-1184, 2024 Cited by PubMed: 38472113DOI: 10.1021/acsinfecdis.3c00560 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (2.2 Å) |
Structure validation
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