7SDA
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI49
Summary for 7SDA
Entry DOI | 10.2210/pdb7sda/pdb |
Descriptor | 3C-like proteinase, N-[(2S)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4,4-dimethyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide (3 entities in total) |
Functional Keywords | main protease, viral protein, hydrolase-inhibitor complex, hydrolase/inhibitor |
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 | 34226.06 |
Authors | Yang, K.S.,Liu, W.R. (deposition date: 2021-09-29, release date: 2022-11-09, Last modification date: 2024-03-20) |
Primary citation | Geng, Z.Z.,Atla, S.,Shaabani, N.,Vulupala, V.,Yang, K.S.,Alugubelli, Y.R.,Khatua, K.,Chen, P.H.,Xiao, J.,Blankenship, L.R.,Ma, X.R.,Vatansever, E.C.,Cho, C.D.,Ma, Y.,Allen, R.,Ji, H.,Xu, S.,Liu, W.R. A Systematic Survey of Reversibly Covalent Dipeptidyl Inhibitors of the SARS-CoV-2 Main Protease. J.Med.Chem., 66:11040-11055, 2023 Cited by PubMed: 37561993DOI: 10.1021/acs.jmedchem.3c00221 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.85 Å) |
Structure validation
Download full validation report![Download](/newweb/media/icons/dl.png)
![Download](/newweb/media/icons/dl.png)