7S4B
Room temperature X-ray structure of SARS-CoV-2 main protease in complex with compound Z1530724963
Summary for 7S4B
Entry DOI | 10.2210/pdb7s4b/pdb |
Related | 7S3K 7S3S |
Descriptor | 3C-like proteinase, (2R)-2-(3-fluorophenyl)-N-(isoquinolin-4-yl)propanamide (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 | 34119.87 |
Authors | Kovalevsky, A.,Kneller, D.W.,Coates, L. (deposition date: 2021-09-08, 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 Cited by PubMed: 35434531DOI: 10.1021/acsptsci.2c00026 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2 Å) |
Structure validation
Download full validation report