Hepatitis C Protease NS3-4A serine protease with Ketoamide Inhibitor SCH225724 Bound

Summary for 2A4G

DescriptorNS3 protease/helicase, NS4a peptide, ZINC ION, ... (5 entities in total)
Functional Keywordsviral protein
Biological sourceHepatitis C virus
Total number of polymer chains4
Total molecular weight48072.19
Primary citation
Arasappan, A.,Njoroge, F.G.,Chan, T.Y.,Bennett, F.,Bogen, S.L.,Chen, K.,Gu, H.,Hong, L.,Jao, E.,Liu, Y.T.,Lovey, R.G.,Parekh, T.,Pike, R.E.,Pinto, P.,Santhanam, B.,Venkatraman, S.,Vaccaro, H.,Wang, H.,Yang, X.,Zhu, Z.,Mckittrick, B.,Saksena, A.K.,Girijavallabhan, V.,Pichardo, J.,Butkiewicz, N.,Ingram, R.,Malcolm, B.,Prongay, A.J.,Yao, N.,Marten, B.,Madison, V.,Kemp, S.,Levy, O.,Lim-Wilby, M.,Tamura, S.,Ganguly, A.K.
Hepatitis C virus NS3-4a serine protease inhibitors. SAR of P2' moiety with improved potency.
Bioorg.Med.Chem.Lett., 15:4180-4184, 2005
PubMed: 16087332 (PDB entries with the same primary citation)
DOI: 10.1016/j.bmcl.2005.06.091
MImport into Mendeley
Experimental method
NMR Information

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.196110.3%8.0%1.6%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution