7Q5F
Crystal structure of F2F-2020216-01X bound to the main protease (3CLpro/Mpro) of SARS-CoV-2.
Summary for 7Q5F
Entry DOI | 10.2210/pdb7q5f/pdb |
Descriptor | 3C-like proteinase, (S)-1-(2-(2,4-dichlorophenoxy)acetyl)-N-((S)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)-4-(phenethylamino)butan-2-yl)pyrrolidine-2-carboxamide, SULFATE ION, ... (8 entities in total) |
Functional Keywords | sars-cov-2, mpro, 3clpro, exscalate4cov, drug discovery, elettra, viral protein |
Biological source | Severe acute respiratory syndrome coronavirus 2 (2019-nCoV, SARS-CoV-2) |
Total number of polymer chains | 2 |
Total formula weight | 69334.21 |
Authors | Costanzi, E.,Demitri, N.,Storici, P. (deposition date: 2021-11-03, release date: 2022-11-23, Last modification date: 2024-01-31) |
Primary citation | Pelliccia, S.,Cerchia, C.,Esposito, F.,Cannalire, R.,Corona, A.,Costanzi, E.,Kuzikov, M.,Gribbon, P.,Zaliani, A.,Brindisi, M.,Storici, P.,Tramontano, E.,Summa, V. Easy access to alpha-ketoamides as SARS-CoV-2 and MERS M pro inhibitors via the PADAM oxidation route. Eur.J.Med.Chem., 244:114853-114853, 2022 Cited by PubMed: 36332546DOI: 10.1016/j.ejmech.2022.114853 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.72 Å) |
Structure validation
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