7K0F

1.65 A resolution structure of SARS-CoV-2 3CL protease in complex with a deuterated GC376 alpha-ketoamide analog (compound 5)

Summary for 7K0F

• Entry DOI: 10.2210/pdb7k0f/pdb
• Descriptor: 3C-like proteinase, N-{(2S,3R)-4-(benzylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-N~2~-[(benzyloxy)carbonyl]-L-leucinamide, TETRAETHYLENE GLYCOL, ... (4 entities in total)
• Functional Keywords: covid-19, protease, severe acute respiratory syndrome coronavirus 2, sars-cov-2 3cl protease inhhibitors, hydrolase, deuterated hydrolase inhibitor
• Biological source: Severe acute respiratory syndrome coronavirus 2 (2019-nCoV)
• Total number of polymer chains: 2
• Total formula weight: 69409.11

Authors

Lovell, S.,Kashipathy, M.M.,Battaile, K.P.,Chamandi, S.D.,Nguyen, H.N.,Kim, Y.,Chang, K.O.,Groutas, W.C. (deposition date: 2020-09-04, release date: 2021-01-13, Last modification date: 2023-10-18)

• Primary citation: Dampalla, C.S.,Zheng, J.,Perera, K.D.,Wong, L.R.,Meyerholz, D.K.,Nguyen, H.N.,Kashipathy, M.M.,Battaile, K.P.,Lovell, S.,Kim, Y.,Perlman, S.,Groutas, W.C.,Chang, K.O.; Postinfection treatment with a protease inhibitor increases survival of mice with a fatal SARS-CoV-2 infection.; Proc.Natl.Acad.Sci.USA, 118:-, 2021; PubMed: 34210738; DOI: 10.1073/pnas.2101555118

Experimental method

X-RAY DIFFRACTION (1.65 Å)