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: 35434531 DOI: 10.1021/acsptsci.2c00026 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2 Å)

Structure validation