7S3K

Room temperature X-ray structure of SARS-CoV-2 main protease in complex with compound Z1530718726

Summary for 7S3K

• Entry DOI: 10.2210/pdb7s3k/pdb
• Descriptor: 3C-like proteinase, 2-(5-chloro-2-methoxyphenyl)-N-(isoquinolin-4-yl)acetamide (3 entities in total)
• Functional Keywords: enzyme-inhibitor complex, cysteine protease, homodimer, 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: 34152.32

Authors

Kovalevsky, A.,Kneller, D.W.,Coates, L. (deposition date: 2021-09-07, release date: 2021-09-15, Last modification date: 2023-10-18)

• Primary citation: Glaser, J.,Sedova, A.,Galanie, S.,Kneller, D.W.,Davidson, R.B.,Maradzike, E.,Del Galdo, S.,Labbe, A.,Hsu, D.J.,Agarwal, R.,Bykov, D.,Tharrington, A.,Parks, J.M.,Smith, D.M.A.,Daidone, I.,Coates, L.,Kovalevsky, A.,Smith, J.C.; Hit Expansion of a Noncovalent SARS-CoV-2 Main Protease Inhibitor.; Acs Pharmacol Transl Sci, 5:255-265, 2022; PubMed: 35434531; DOI: 10.1021/acsptsci.2c00026

Experimental method

X-RAY DIFFRACTION (1.9 Å)