6FV2

Structure of human coronavirus NL63 main protease in complex with the alpha-ketoamide (S)-N-benzyl-3-((S)-2-cinnamamido-3-phenylpropanamido)-2-oxo-4-((S)-2-oxopyrrolidin-3-yl)butanamide (cinnamoyl-phenylalanine-GlnLactam-CO-CO-NH-benzyl)

Summary for 6FV2

DescriptorReplicase polyprotein 1ab, GLYCEROL, (S)-N-benzyl-3-((S)-2-cinnamamido-3-phenylpropanamido)-2-oxo-4-((S)-2-oxopyrrolidin-3-yl)butanamide, ... (4 entities in total)
Functional Keywordsviral protease, coronavirus, alpha-ketoamide, inhibitor, hydrolase
Biological sourceHuman coronavirus NL63
Total number of polymer chains3
Total molecular weight101619.97
Authors
Zhang, L.,Hilgenfeld, R. (deposition date: 2018-02-28, release date: 2019-03-20)
Primary citation
Lin, D.,Zhang, L.,Kusov, Y.,Nian, Y.,Ma, Q.,Wang, J.,von Brunn, A.,Leyssen, P.,Lanko, K.,Neyts, J.,de Wilde, A.,Snijder, E.J.,Liu, H.,Hilgenfeld, R.
Alpha-ketoamides as broad-spectrum inhibitors of coronavirus and enterovirus replication
To Be Published,
Experimental method
X-RAY DIFFRACTION (2.95 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.24870 8.1% 4.1%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

Molmil generated image of 6fv2
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Molmil generated image of 6fv2
rotated about x axis by 90°
Molmil generated image of 6fv2
rotated about y axis by 90°