7NWX
SARS-COV2 NSP5 in the presence of Zn2+
Summary for 7NWX
| Entry DOI | 10.2210/pdb7nwx/pdb |
| Descriptor | Replicase polyprotein 1a, ZINC ION (3 entities in total) |
| Functional Keywords | sars-cov2, nsp5, 3c-like proteinase, coronavirus, viral protein |
| Biological source | Severe acute respiratory syndrome coronavirus 2 (2019-nCoV, SARS-CoV-2) |
| Total number of polymer chains | 1 |
| Total formula weight | 33890.96 |
| Authors | Calderone, V.,Grifagni, D.,Cantini, F.,Fragai, M.,Banci, L. (deposition date: 2021-03-17, release date: 2022-01-26, Last modification date: 2024-01-31) |
| Primary citation | Grifagni, D.,Calderone, V.,Giuntini, S.,Cantini, F.,Fragai, M.,Banci, L. SARS-CoV-2 M pro inhibition by a zinc ion: structural features and hints for drug design. Chem.Commun.(Camb.), 57:7910-7913, 2021 Cited by PubMed Abstract: Structural data on the SARS-CoV-2 main protease in complex with a zinc-containing organic inhibitor are already present in the literature and gave hints on the presence of a zinc binding site involving the catalytically relevant cysteine and histidine residues. In this paper, the structural basis of ionic zinc binding to the SARS-CoV-2 main protease has been elucidated by X-ray crystallography. The zinc binding affinity and its ability to inhibit the SARS-CoV-2 main protease have been investigated. These findings provide solid ground for the design of potent and selective metal-conjugated inhibitors of the SARS-CoV-2 main protease. PubMed: 34278402DOI: 10.1039/d1cc02956h PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (1.8 Å) |
Structure validation
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