6XMK

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

Summary for 6XMK

Descriptor3C-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 Keywordsprotease, severe acute respiratory syndrome coronavirus 2, sars-cov-2 3cl protease inhhibitors, covid-19, viral protein, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological sourceSevere acute respiratory syndrome coronavirus 2 (2019-nCoV)
Total number of polymer chains2
Total molecular weight69387
Authors
Primary citation
Rathnayake, A.D.,Zheng, J.,Kim, Y.,Perera, P.,Nguyen, H.N.,Meyerholzm, D.,Kashipathy, M.M.,Battaile, K.P.,Lovell, S.,Perlman, S.,Chang, K.O.,Groutas, W.C.
Efficacy of post-infection treatment of 3CL Protease in the mouse model of MERS-coronavirus infection
To be published,
Experimental method
X-RAY DIFFRACTION (1.7 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.21720 1.2% 3.0%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation reportDownload
167518
PDB entries from 2020-08-12