7U29

Structure of SARS-CoV-2 Mpro mutant (K90R) in complex with Nirmatrelvir (PF-07321332)

Summary for 7U29

Entry DOI	10.2210/pdb7u29/pdb
Related	7RFS 7TLL
Descriptor	3C-like proteinase nsp5, (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide (3 entities in total)
Functional Keywords	protease, sars-cov-2, covalent complex, inhibitor, hydrolase-inhibitor complex, omicron, nirmatrelvir, pf-07321332, hydrolase, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological source	Severe acute respiratory syndrome coronavirus 2 (2019-nCoV, SARS-CoV-2)
Total number of polymer chains	2
Total formula weight	68710.20
Authors	Greasley, S.E.,Ferre, R.A.,Liu, W.,Stewart, A.E. (deposition date: 2022-02-23, release date: 2022-03-09, Last modification date: 2022-06-15)
Primary citation	Greasley, S.E.,Noell, S.,Plotnikova, O.,Ferre, R.,Liu, W.,Bolanos, B.,Fennell, K.,Nicki, J.,Craig, T.,Zhu, Y.,Stewart, A.E.,Steppan, C.M. Structural basis for the in vitro efficacy of nirmatrelvir against SARS-CoV-2 variants. J.Biol.Chem., 298:101972-101972, 2022 Cited by PubMed: 35461811 DOI: 10.1016/j.jbc.2022.101972 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.088 Å)

Structure validation