4J04

Crystal structure of hcv ns5b polymerase in complex with 4-CHLORO-2-{[(2,4,5-TRICHLOROPHENYL)SULFONYL]AMINO}BENZOIC ACID

Summary for 4J04

Related3MWV 4IZ0 4J02 4J06 4J08 4J0A
DescriptorGenome polyprotein, 4-chloro-2-{[(2,4,5-trichlorophenyl)sulfonyl]amino}benzoic acid, MANGANESE (II) ION, ... (4 entities in total)
Functional Keywordsrna-directed rna polymerase, transferase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological sourceHepatitis C virus (HCV)
Cellular locationCore protein p21: Host endoplasmic reticulum membrane; Single-pass membrane protein (By similarity). Core protein p19: Virion (By similarity). Envelope glycoprotein E1: Virion membrane; Single-pass type I membrane protein (Potential). Envelope glycoprotein E2: Virion membrane; Single-pass type I membrane protein (Potential). p7: Host endoplasmic reticulum membrane; Multi-pass membrane protein (By similarity). Protease NS2-3: Host endoplasmic reticulum membrane; Multi-pass membrane protein (Potential). Serine protease NS3: Host endoplasmic reticulum membrane; Peripheral membrane protein (By similarity). Non-structural protein 4A: Host endoplasmic reticulum membrane; Single-pass type I membrane protein (Potential). Non-structural protein 4B: Host endoplasmic reticulum membrane; Multi-pass membrane protein (By similarity). Non-structural protein 5A: Host endoplasmic reticulum membrane; Peripheral membrane protein (By similarity). RNA-directed RNA polymerase: Host endoplasmic reticulum membrane; Single-pass type I membrane protein (Potential) O92972
Total number of polymer chains2
Total molecular weight130036.25
Authors
Coulombe, R. (deposition date: 2013-01-30, release date: 2013-04-17, Last modification date: 2013-05-01)
Primary citation
Stammers, T.A.,Coulombe, R.,Rancourt, J.,Thavonekham, B.,Fazal, G.,Goulet, S.,Jakalian, A.,Wernic, D.,Tsantrizos, Y.,Poupart, M.A.,Bos, M.,McKercher, G.,Thauvette, L.,Kukolj, G.,Beaulieu, P.L.
Discovery of a novel series of non-nucleoside thumb pocket 2 HCV NS5B polymerase inhibitors.
Bioorg.Med.Chem.Lett., 23:2585-2589, 2013
PubMed: 23545108 (PDB entries with the same primary citation)
DOI: 10.1016/j.bmcl.2013.02.110
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.22960.4%0.9%5.6%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

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More Biological unit images

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(*)In the case of coarse surface representation, the asymmetric unit is shown as red ribbon representation.
Coordinate files for Biological unit (4j04.pdb2.gz [96.12 KB])
Coordinate files for Biological unit (4j04.pdb1.gz [98.12 KB])