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; PubMed: 36332546; DOI: 10.1016/j.ejmech.2022.114853

Experimental method

X-RAY DIFFRACTION (1.72 Å)