7JT0

Crystal structure of SARS-CoV-2 3CL protease in complex with MAC5576

Summary for 7JT0

Entry DOI	10.2210/pdb7jt0/pdb
Descriptor	3C-like proteinase, thiophene-2-carbaldehyde, PHOSPHATE ION, ... (4 entities in total)
Functional Keywords	sars-cov-2 3cl 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	34032.67
Authors	Iketani, S.,Forouhar, F.,Liu, H.,Hong, S.J.,Lin, F.-Y.,Nair, M.S.,Zask, A.,Huang, Y.,Xing, L.,Stockwell, B.R.,Chavez, A.,Ho, D.D. (deposition date: 2020-08-16, release date: 2021-03-10, Last modification date: 2023-10-18)
Primary citation	Iketani, S.,Forouhar, F.,Liu, H.,Hong, S.J.,Lin, F.Y.,Nair, M.S.,Zask, A.,Huang, Y.,Xing, L.,Stockwell, B.R.,Chavez, A.,Ho, D.D. Lead compounds for the development of SARS-CoV-2 3CL protease inhibitors. Nat Commun, 12:2016-2016, 2021 Cited by PubMed: 33795671 DOI: 10.1038/s41467-021-22362-2 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.73 Å)

Structure validation