7JUN

Joint neutron/X-ray structure of SARS-CoV-2 3CL Mpro at room temperature

Summary for 7JUN

Entry DOI	10.2210/pdb7jun/pdb
Descriptor	3C-like proteinase (2 entities in total)
Functional Keywords	neutron crystallography, room temperature, sars-cov-2, main protease, 3cl mpro, protonation state, hydrogen bond, enzyme mechanism, drug design, hydrolase
Biological source	Severe acute respiratory syndrome coronavirus 2 (2019-nCoV, SARS-CoV-2, COVID-19 virus)
Total number of polymer chains	1
Total formula weight	33825.55
Authors	Kovalevsky, A.,Kneller, D.W.,Coates, L. (deposition date: 2020-08-20, release date: 2020-09-02, Last modification date: 2024-04-03)
Primary citation	Kneller, D.W.,Phillips, G.,Weiss, K.L.,Pant, S.,Zhang, Q.,O'Neill, H.M.,Coates, L.,Kovalevsky, A. Unusual zwitterionic catalytic site of SARS-CoV-2 main protease revealed by neutron crystallography. J.Biol.Chem., 295:17365-17373, 2020 Cited by PubMed: 33060199 DOI: 10.1074/jbc.AC120.016154 PDB entries with the same primary citation
Experimental method	NEUTRON DIFFRACTION (2.5 Å) X-RAY DIFFRACTION (2.3 Å)

Structure validation