6N4N

Crystal structure of the designed protein DNCR2/danoprevir/NS3a complex

Summary for 6N4N

DescriptorNS3 protease, Rosetta-designed danoprevir/NS3a complex reader 2, ZINC ION, ... (6 entities in total)
Functional Keywordsrosetta design, procisir, ns3a, danoprevir, de novo protein-hydrolase-inhibitor complex, de novo protein/hydrolase/inhibitor
Biological sourceHepacivirus C (Hepatitis C virus)
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Total number of polymer chains4
Total molecular weight95356.75
Authors
Wang, Z.,Foight, G.W.,Baker, D.,Maly, D.J. (deposition date: 2018-11-19, release date: 2019-09-11, Last modification date: 2019-10-16)
Primary citation
Foight, G.W.,Wang, Z.,Wei, C.T.,Jr Greisen, P.,Warner, K.M.,Cunningham-Bryant, D.,Park, K.,Brunette, T.J.,Sheffler, W.,Baker, D.,Maly, D.J.
Multi-input chemical control of protein dimerization for programming graded cellular responses.
Nat.Biotechnol., 37:1209-1216, 2019
PubMed: 31501561 (PDB entries with the same primary citation)
DOI: 10.1038/s41587-019-0242-8
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2.29 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.24110 0.5% 6.3%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
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