7LZX

Structure of SARS-CoV-2 3CL protease in complex with inhibitor 1c

Summary for 7LZX

• Entry DOI: 10.2210/pdb7lzx/pdb
• Descriptor: 3C-like proteinase, (1S,2S)-2-((S)-2-((((4,4-dimethylcyclohexyl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid, (1R,2S)-2-((S)-2-((((4,4-dimethylcyclohexyl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid, ... (5 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: 2
• Total formula weight: 70354.34

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; PubMed: 34865476; DOI: 10.1021/acs.jmedchem.1c01037

Experimental method

X-RAY DIFFRACTION (1.65 Å)