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6P6T

HCV NS3/4A protease domain of genotype 4a in complex with glecaprevir

Summary for 6P6T
Entry DOI10.2210/pdb6p6t/pdb
DescriptorNon-structural protein 4A,Serine protease NS3, ZINC ION, (3aR,7S,10S,12R,21E,24aR)-7-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclop ropyl]-20,20-difluoro-5,8-dioxo-2,3,3a,5,6,7,8,11,12,20,23,24a-dodecahydro-1H,10H-9,12-methanocyclopenta[18,19][1,10,17, 3,6]trioxadiazacyclononadecino[11,12-b]quinoxaline-10-carboxamide, ... (4 entities in total)
Functional Keywordshcv ns3/4a protease hcv protease domain glecaprevir, gle genotype 4a chimera, viral protein, hydrolase
Biological sourceHepatitis C virus genotype 4a (isolate ED43) (HCV)
More
Total number of polymer chains1
Total formula weight22130.39
Authors
Timm, J.,Schiffer, C.A. (deposition date: 2019-06-04, release date: 2020-06-10, Last modification date: 2023-10-11)
Primary citationTimm, J.,Kosovrasti, K.,Henes, M.,Leidner, F.,Hou, S.,Kurt-Yilmaz, N.,Schiffer, C.A.
Molecular mechanism of pan-genotypic HCV NS3/4A protease inhibition by glecaprevir and characterization of genotype-specific structural differences
To Be Published,
Experimental method
X-RAY DIFFRACTION (2.3 Å)
Structure validation

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