2A4Q

HCV NS3 protease with NS4a peptide and a covalently bound macrocyclic ketoamide compound.

Summary for 2A4Q

Related1A1R 2A4G 1JXP 1N1L 1NS3 1RTL
DescriptorNS3 protease/helicase', NS4a peptide, ZINC ION, ... (6 entities in total)
Functional Keywordsviral protein
Biological sourceHepatitis C virus
More
Total number of polymer chains4
Total molecular weight48209.38
Authors
Chen, K.X.,Njoroge, F.G.,Prongay, A.,Pichardo, J.,Madison, V.,Girijavallabhan, V. (deposition date: 2005-06-29, release date: 2006-07-04, Last modification date: 2011-07-13)
Primary citation
Chen, K.X.,Njoroge, F.G.,Prongay, A.,Pichardo, J.,Madison, V.,Girijavallabhan, V.
Synthesis and Biological Activity of Macrocyclic Inhibitors of Hepatitis C Virus (HCV) NS3 Protease
Bioorg.Med.Chem.Lett., 15:4475-4478, 2005
PubMed: 16112859 (PDB entries with the same primary citation)
DOI: 10.1016/j.bmcl.2005.07.033
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2.45 Å)
NMR Information
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.194140.3%4.7%1.6%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution