6XMK

1.70 A resolution structure of SARS-CoV-2 3CL protease in complex with inhibitor 7j

Summary for 6XMK

• Entry DOI: 10.2210/pdb6xmk/pdb
• Descriptor: 3C-like proteinase, (1S,2S)-2-[(N-{[(4,4-difluorocyclohexyl)methoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, TETRAETHYLENE GLYCOL, ... (4 entities in total)
• Functional Keywords: protease, severe acute respiratory syndrome coronavirus 2, sars-cov-2 3cl protease inhhibitors, covid-19, viral protein, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: Severe acute respiratory syndrome coronavirus 2 (2019-nCoV)
• Total number of polymer chains: 2
• Total formula weight: 69387.00

Authors

Lovell, S.,Kashipathy, M.M.,Battaile, K.P.,Rathnayake, A.D.,Zheng, J.,Kim, Y.,Nguyen, H.N.,Chang, K.O.,Groutas, W.C. (deposition date: 2020-06-30, release date: 2020-07-08, Last modification date: 2023-10-18)

• Primary citation: Rathnayake, A.D.,Zheng, J.,Kim, Y.,Perera, K.D.,Mackin, S.,Meyerholz, D.K.,Kashipathy, M.M.,Battaile, K.P.,Lovell, S.,Perlman, S.,Groutas, W.C.,Chang, K.O.; 3C-like protease inhibitors block coronavirus replication in vitro and improve survival in MERS-CoV-infected mice.; Sci Transl Med, 12:-, 2020; PubMed: 32747425; DOI: 10.1126/scitranslmed.abc5332

Experimental method

X-RAY DIFFRACTION (1.7 Å)