8DZ1

Crystal Structure of SARS-CoV-2 Main protease mutant M49I in complex with Ensitrelvir

Summary for 8DZ1

Entry DOI	10.2210/pdb8dz1/pdb
Descriptor	Replicase polyprotein 1ab, DIMETHYL SULFOXIDE, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione, ... (4 entities in total)
Functional Keywords	mpro, 3cl, covid, sars-cov-2 ensitrelvir, nirmatrelvir, viral protein, hydrolase-inhibitor complex, hydrolase/inhibitor
Biological source	Severe acute respiratory syndrome coronavirus 2
Total number of polymer chains	2
Total formula weight	68913.17
Authors	Noske, G.D.,Oliva, G.,Godoy, A.S. (deposition date: 2022-08-06, release date: 2022-10-05, Last modification date: 2023-10-25)
Primary citation	Noske, G.D.,de Souza Silva, E.,de Godoy, M.O.,Dolci, I.,Fernandes, R.S.,Guido, R.V.C.,Sjo, P.,Oliva, G.,Godoy, A.S. Structural basis of nirmatrelvir and ensitrelvir activity against naturally occurring polymorphisms of the SARS-CoV-2 main protease. J.Biol.Chem., 299:103004-103004, 2023 Cited by PubMed: 36775130 DOI: 10.1016/j.jbc.2023.103004 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.08 Å)

Structure validation