6P6S
HCV NS3/4A protease domain of genotype 3a in complex with glecaprevir
Summary for 6P6S
Entry DOI | 10.2210/pdb6p6s/pdb |
Descriptor | Non-structural protein 4A,Serine protease NS3, (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, 1,2-ETHANEDIOL, ... (5 entities in total) |
Functional Keywords | hcv ns3/4a protease hcv protease domain glecaprevir, gle genotype 3a, viral protein, hydrolase |
Biological source | Hepatitis C virus genotype 3a (isolate NZL1) (HCV) More |
Total number of polymer chains | 1 |
Total formula weight | 22265.40 |
Authors | Timm, J.,Schiffer, C.A. (deposition date: 2019-06-04, release date: 2020-06-10, Last modification date: 2023-10-11) |
Primary citation | Timm, 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 Å) |
Structure validation
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