7LZZ

Structure of SARS-CoV-2 3CL protease in complex with inhibitor 5c

Summary for 7LZZ

Entry DOI	10.2210/pdb7lzz/pdb
Descriptor	3C-like proteinase, (1R,2S)-1-hydroxy-2-((S)-4-methyl-2-(((((1r,4S)-4-phenylcyclohexyl)oxy)carbonyl)amino)pentanamido)-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid, (1S,2S)-1-hydroxy-2-((S)-4-methyl-2-(((((1r,4S)-4-phenylcyclohexyl)oxy)carbonyl)amino)pentanamido)-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid, ... (4 entities in total)
Functional Keywords	covid-19, protease, severe acute respiratory syndrome coronavirus 2, sars-cov-2 3cl protease inhhibitors, hydrolase-inhibitor complex, hydrolase/inhibitor
Biological source	Severe acute respiratory syndrome coronavirus 2 (2019-nCoV)
Total number of polymer chains	1
Total formula weight	35176.14
Authors	Lovell, S.,Kashipathy, M.M.,Battaile, K.P.,Chamandi, S.D.,Rathnayake, A.D.,Kim, Y.,Perera, K.D.,Jesri, A.R.M.,Nguyen, H.N.,Baird, M.A.,Miller, M.J.,Groutas, W.C.,Chang, K.O. (deposition date: 2021-03-10, release date: 2021-03-24, Last modification date: 2023-10-18)
Primary citation	Dampalla, C.S.,Rathnayake, A.D.,Perera, K.D.,Jesri, A.M.,Nguyen, H.N.,Miller, M.J.,Thurman, H.A.,Zheng, J.,Kashipathy, M.M.,Battaile, K.P.,Lovell, S.,Perlman, S.,Kim, Y.,Groutas, W.C.,Chang, K.O. Structure-Guided Design of Potent Inhibitors of SARS-CoV-2 3CL Protease: Structural, Biochemical, and Cell-Based Studies. J.Med.Chem., 64:17846-17865, 2021 Cited by PubMed: 34865476 DOI: 10.1021/acs.jmedchem.1c01037 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2 Å)

Structure validation