7CA8
The crystal structure of COVID-19 main protease in complex with an inhibitor Shikonin
Summary for 7CA8
| Entry DOI | 10.2210/pdb7ca8/pdb |
| Descriptor | 3C-like proteinase, 2-[(1R)-4-methyl-1-oxidanyl-pent-3-enyl]-5,8-bis(oxidanyl)naphthalene-1,4-dione (3 entities in total) |
| Functional Keywords | viral protein, main protease, inhibitor |
| Biological source | Severe acute respiratory syndrome coronavirus 2 (2019-nCoV) |
| Total number of polymer chains | 2 |
| Total formula weight | 66237.52 |
| Authors | Zhou, X.L.,Zhong, F.L.,Lin, C.,Li, J.,Zhang, J. (deposition date: 2020-06-08, release date: 2021-04-07, Last modification date: 2023-11-29) |
| Primary citation | Li, J.,Zhou, X.,Zhang, Y.,Zhong, F.,Lin, C.,McCormick, P.J.,Jiang, F.,Luo, J.,Zhou, H.,Wang, Q.,Fu, Y.,Duan, J.,Zhang, J. Crystal structure of SARS-CoV-2 main protease in complex with the natural product inhibitor shikonin illuminates a unique binding mode. Sci Bull (Beijing), 66:661-663, 2021 Cited by PubMed: 33163253DOI: 10.1016/j.scib.2020.10.018 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (2.45 Å) |
Structure validation
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