2A4R

HCV NS3 Protease Domain with a Ketoamide Inhibitor Covalently bound.

Summary for 2A4R

Related1A1R 2A4G 1JXP 1N1L 1NS3 1RTL
DescriptorNS3 protease/helicase, Ns4a peptide, ZINC ION, ... (5 entities in total)
Functional Keywordsviral protein
Biological sourceHepatitis C virus
More
Total number of polymer chains4
Total molecular weight48083.16
Authors
Bogen, S.,Saksena, A.K.,Arasappan, A.,Gu, H.,Njoroge, F.G.,Girijavallabhan, V.,Pichardo, J.,Butkiewicz, N.,Prongay, A.,Madison, V. (deposition date: 2005-06-29, release date: 2006-07-04, Last modification date: 2011-07-13)
Primary citation
Bogen, S.,Saksena, A.K.,Arasappan, A.,Gu, H.,Njoroge, F.G.,Girijavallabhan, V.,Pichardo, J.,Butkiewicz, N.,Prongay, A.,Madison, V.
Hepatitis C Virus NS3-4A serine protease inhibitors: Use of a P2-P1 cyclopropyl alanine combination for improved potency.
Bioorg.Med.Chem.Lett., 15:4515-4519, 2005
PubMed: 16112862 (PDB entries with the same primary citation)
DOI: 10.1016/j.bmcl.2005.07.009
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2.4 Å)
NMR Information
?

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.217110.3%9.0%1.9%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution