6XB1
Room temperature X-ray crystallography reveals catalytic cysteine in the SARS-CoV-2 3CL Mpro is highly reactive: Insights for enzyme mechanism and drug design
Summary for 6XB1
Entry DOI | 10.2210/pdb6xb1/pdb |
Descriptor | 3C-like proteinase, 1-ETHYL-PYRROLIDINE-2,5-DIONE (3 entities in total) |
Functional Keywords | main protease sars-cov-2 3cl mpro, viral protein, hydrolase |
Biological source | Severe acute respiratory syndrome coronavirus 2 (2019-nCoV) |
Total number of polymer chains | 1 |
Total formula weight | 33984.68 |
Authors | Kneller, D.W.,Kovalevsky, A.,Coates, L. (deposition date: 2020-06-05, release date: 2020-06-17, Last modification date: 2023-10-18) |
Primary citation | Kneller, D.W.,Phillips, G.,O'Neill, H.M.,Tan, K.,Joachimiak, A.,Coates, L.,Kovalevsky, A. Room-temperature X-ray crystallography reveals the oxidation and reactivity of cysteine residues in SARS-CoV-2 3CL M pro : insights into enzyme mechanism and drug design. Iucrj, 7:-, 2020 Cited by PubMed: 33063790DOI: 10.1107/S2052252520012634 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.8 Å) |
Structure validation
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