7Q5E

Crystal structure of F2F-2020209-00X bound to the main protease (3CLpro/Mpro) of SARS-CoV-2.

Summary for 7Q5E

Entry DOI	10.2210/pdb7q5e/pdb
Descriptor	3C-like proteinase, benzyl (S)-2-(((S)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)-4-(phenethylamino)butan-2-yl)carbamoyl)pyrrolidine-1-carboxylate, CHLORIDE ION, ... (5 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	68818.23
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: 36332546 DOI: 10.1016/j.ejmech.2022.114853 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.67 Å)

Structure validation