8GFR

Room temperature X-ray structure of truncated SARS-CoV-2 main protease C145A mutant, residues 1-304, in complex with NBH2

Summary for 8GFR

Entry DOI	10.2210/pdb8gfr/pdb
Related	8GFK 8GFN 8GFO
Descriptor	3C-like proteinase nsp5, (1R,2S,5S)-N-{(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl}-6,6-dimethyl-3-[3-methyl-N-({1-[(2-methylpropane-2-sulfonyl)methyl]cyclohexyl}carbamoyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide (3 entities in total)
Functional Keywords	viral cysteine protease, inactive c145a mutant, homodimer, inhibitor complex, hydrolase, hydrolase-inhibitor complex, hydrolase/inhibitor
Biological source	Severe acute respiratory syndrome coronavirus 2
Total number of polymer chains	1
Total formula weight	34181.06
Authors	Kovalevsky, A.,Coates, L. (deposition date: 2023-03-08, release date: 2023-07-12)
Primary citation	Kovalevsky, A.,Aniana, A.,Coates, L.,Bonnesen, P.V.,Nashed, N.T.,Louis, J.M. Contribution of the catalytic dyad of SARS-CoV-2 main protease to binding covalent and noncovalent inhibitors. J.Biol.Chem., 299:104886-104886, 2023 Cited by PubMed: 37271339 DOI: 10.1016/j.jbc.2023.104886 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2 Å)

Structure validation