Crystal structure of HCV NS3/4A protease variant Y56H in complex with MK-5172

Summary for 6C2M

DescriptorNS3 protease, ZINC ION, (1aR,5S,8S,10R,22aR)-5-tert-butyl-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-14-methoxy-3,6-dioxo-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-8H-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadecino[11,12-b]quinoxaline-8-carboxamide, ... (5 entities in total)
Functional Keywordsns3/4a protease, hepatitis c virus, drug resistance, protease inhibitor, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological sourceHepatitis C virus
Total number of polymer chains4
Total molecular weight86843.86
Matthew, A.N.,Schiffer, C.A. (deposition date: 2018-01-08, release date: 2019-01-16)
Primary citation
Matthew, A.N.,Schiffer, C.A.
Clinical signature variant of HCV NS3/4A protease uses a novel mechanism to confer resistance
To Be Published,
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.2313 0.3% 0.2% 5.6%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

Molmil generated image of 6c2m
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Molmil generated image of 6c2m
rotated about x axis by 90°
Molmil generated image of 6c2m
rotated about y axis by 90°
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