3SV8

Crystal structure of NS3/4A protease variant D168A in complex with Telaprevir

Summary for 3SV8

• Entry DOI: 10.2210/pdb3sv8/pdb
• Related: 3SU3 3SU4 3SU5 3SU6 3SUD 3SUE 3SUF 3SUG 3SV6 3SV7 3SV9
• Descriptor: NS3 protease, NS4A protein, (1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide, GLYCEROL, ... (5 entities in total)
• Functional Keywords: drug resistance, drug design, protease inhibitors, serine protease, hydrolase, viral protein, hydrolase-inhibitor complex, hydrolase/inhibitor
• Biological source: Hepatitis C virus; More
• Total number of polymer chains: 1
• Total formula weight: 22298.69

Authors

Schiffer, C.A.,Romano, K.P. (deposition date: 2011-07-12, release date: 2012-09-05, Last modification date: 2017-11-08)

• Primary citation: Romano, K.P.,Ali, A.,Aydin, C.,Soumana, D.,Ozen, A.,Deveau, L.M.,Silver, C.,Cao, H.,Newton, A.,Petropoulos, C.J.,Huang, W.,Schiffer, C.A.; The Molecular Basis of Drug Resistance against Hepatitis C Virus NS3/4A Protease Inhibitors.; Plos Pathog., 8:e1002832-e1002832, 2012; PubMed: 22910833; DOI: 10.1371/journal.ppat.1002832

Experimental method

X-RAY DIFFRACTION (2.5 Å)