6P6Q

HCV NS3/4A protease domain of genotype 1a3a chimera in complex with grazoprevir

Summary for 6P6Q

• Entry DOI: 10.2210/pdb6p6q/pdb
• Descriptor: Non-structural protein 4A,Serine protease NS3, (1aR,5S,8S,10R,22aR)-5-tert-butyl-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-14-methoxy-3,6-di oxo-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]dioxadiazacyclononadec ino[11,12-b]quinoxaline-8-carboxamide, ZINC ION, ... (6 entities in total)
• Functional Keywords: hcv ns3/4a protease hcv protease domain grazoprevir, gzr genotype 1a3a chimera, viral protein, hydrolase
• Biological source: Hepatitis C virus genotype 1a (isolate 1) (HCV); More
• Total number of polymer chains: 2
• Total formula weight: 45648.10

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 (3.5 Å)