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: 33060199DOI: 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
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