6XQT

Room-temperature X-ray Crystal structure of SARS-CoV-2 main protease in complex with Narlaprevir

Summary for 6XQT

Entry DOI	10.2210/pdb6xqt/pdb
Descriptor	3C-like proteinase, (1R,2S,5S)-3-[N-({1-[(tert-butylsulfonyl)methyl]cyclohexyl}carbamoyl)-3-methyl-L-valyl]-N-{(1S)-1-[(1R)-2-(cyclopropylamino)-1-hydroxy-2-oxoethyl]pentyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide (3 entities in total)
Functional Keywords	3c like proteinase, viral protein, viral protein-hydrolase complex, viral protein/hydrolase
Biological source	Severe acute respiratory syndrome coronavirus 2 (2019-nCoV)
Total number of polymer chains	2
Total formula weight	69071.05
Authors	Kneller, D.W.,Kovalevsky, A.,Coates, L. (deposition date: 2020-07-10, release date: 2020-07-22, Last modification date: 2023-10-18)
Primary citation	Kneller, D.W.,Galanie, S.,Phillips, G.,O'Neill, H.M.,Coates, L.,Kovalevsky, A. Malleability of the SARS-CoV-2 3CL M pro Active-Site Cavity Facilitates Binding of Clinical Antivirals. Structure, 28:1313-, 2020 Cited by PubMed: 33152262 DOI: 10.1016/j.str.2020.10.007 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.3 Å)

Structure validation