NS5b in complex with lactam-thiophene carboxylic acids

Summary for 4TN2

DescriptorGenome polyprotein, 3-[(2R)-2-cyclohexyl-5-oxopyrrolidin-1-yl]-5-phenylthiophene-2-carboxylic acid (3 entities in total)
Functional Keywordscomplex polymerase inhbitor, hydrolase
Biological sourceHepatitis B virus (isolate BK, HCV)
Total number of polymer chains1
Total molecular weight64558.98
Chopra, R. (deposition date: 2014-06-02, release date: 2014-09-17, Last modification date: 2017-11-22)
Primary citation
Barnes-Seeman, D.,Boiselle, C.,Capacci-Daniel, C.,Chopra, R.,Hoffmaster, K.,Jones, C.T.,Kato, M.,Lin, K.,Ma, S.,Pan, G.,Shu, L.,Wang, J.,Whiteman, L.,Xu, M.,Zheng, R.,Fu, J.
Design and synthesis of lactam-thiophene carboxylic acids as potent hepatitis C virus polymerase inhibitors.
Bioorg.Med.Chem.Lett., 24:3979-3985, 2014
PubMed: 24986660 (PDB entries with the same primary citation)
DOI: 10.1016/j.bmcl.2014.06.031
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.22320.2%1.9%2.1%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
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PDB entries from 2020-07-29