7TFR
Room temperature X-ray structure of SARS-CoV-2 main protease (3CL Mpro) in complex with NBH-2
Summary for 7TFR
Entry DOI | 10.2210/pdb7tfr/pdb |
Related | 7TEH |
Descriptor | 3C-like proteinase, (1R,2S,5S)-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-({1-[(2-methylpropane-2-sulfonyl)methyl]cyclohexyl}carbamoyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide (3 entities in total) |
Functional Keywords | sars-cov-2 main protease, homodimer, cysteine protease, covalent inhibitor, hydrolase, hydrolase-inhibitor complex, hydrolase/inhibitor |
Biological source | Severe acute respiratory syndrome coronavirus 2 (2019-nCoV, SARS-CoV-2) |
Total number of polymer chains | 1 |
Total formula weight | 34490.45 |
Authors | Kovalevsky, A.,Kneller, D.W.,Coates, L. (deposition date: 2022-01-07, release date: 2022-03-02, Last modification date: 2023-10-18) |
Primary citation | Kneller, D.W.,Li, H.,Phillips, G.,Weiss, K.L.,Zhang, Q.,Arnould, M.A.,Jonsson, C.B.,Surendranathan, S.,Parvathareddy, J.,Blakeley, M.P.,Coates, L.,Louis, J.M.,Bonnesen, P.V.,Kovalevsky, A. Covalent narlaprevir- and boceprevir-derived hybrid inhibitors of SARS-CoV-2 main protease Nat Commun, 13:2268-, 2022 Cited by PubMed: 35477935DOI: 10.1038/s41467-022-29915-z PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.8 Å) |
Structure validation
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