Crystal structure of HCV NS3/4A protease variant Y56H in complex with danoprevir

Summary for 6C2O

DescriptorNS3 protease, (2R,6S,12Z,13aS,14aR,16aS)-6-[(tert-butoxycarbonyl)amino]-14a-[(cyclopropylsulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-2-yl 4-fluoro-2H-isoindole-2-carboxylate, ZINC ION, ... (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 chains1
Total molecular weight21880.1
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 0.145000 9.6%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

Molmil generated image of 6c2o
no rotation
Molmil generated image of 6c2o
rotated about x axis by 90°
Molmil generated image of 6c2o
rotated about y axis by 90°
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