Structure of PDB 4b6f Chain B Binding Site BS01

Receptor Information
>4b6f Chain B (length=642) Species: 11105 (Hepatitis C virus (isolate BK)) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ITAYSQQTRGLLGCIITSLTGRDKNQVEGEVQVVSTATQSFLATCVNGVC
WTVYHGAGSKTLAGPKGPITQMYTNVDQDLVGWQAPPGARSLTPCTCGSS
DLYLVTRHADVIPVRRRGDSRGSLLSPRPVSYLKGSSGGPLLCPSGHAVG
IFRAAVCTRGVAKAVDFVPVESMETTMRSPVFTDNSSPPAVPQSFQVAHL
HAPTGSGKSTKVPAAYAAQGYKVLVLNPSVAATLGFGAYMSKAHGIDPNI
RTGVRTITTGAPVTYSTYGKFLADGGCSGGAYDIIICDECHSTDSTTILG
IGTVLDQAETAGARLVVLATATPPGSVTVPHPNIEEVALSNTGEIPFYGK
AIPIEAIRGGRHLIFCHSKKKCDELAAKLSGLGINAVAYYRGLDVSVIPT
IGDVVVVATDALMTGYTGDFDSVIDCNTCVTQTVDFSLDPTFTIETTTVP
QDAVSRSQRRGRTGRGRRGIYRFVTPGERPSGMFDSSVLCECYDAGCAWY
ELTPAETSVRLRAYLNTPGLPVCQDHLEFWESVFTGLTHIDAHFLSQTKQ
AGDNFPYLVAYQATVCARAQAPPPSWDQMWKCLIRLKPTLHGPTPLLYRL
GAVQNEVTLTHPITKYIMACMSADLEVVTGSVVIVGRIILSS
Ligand information
Ligand ID20L
InChIInChI=1S/C13H13NO/c14-10-11-6-8-13(9-7-11)15-12-4-2-1-3-5-12/h1-9H,10,14H2/p+1
InChIKeyCCAZAGUSBMVSAR-UHFFFAOYSA-O
SMILES
SoftwareSMILES
ACDLabs 12.01O(c1ccccc1)c2ccc(cc2)C[NH3+]
CACTVS 3.385[NH3+]Cc1ccc(Oc2ccccc2)cc1
OpenEye OEToolkits 1.9.2c1ccc(cc1)Oc2ccc(cc2)C[NH3+]
FormulaC13 H14 N O
Name(4-phenoxyphenyl)methylazanium
ChEMBL
DrugBank
ZINC
PDB chain4b6f Chain B Residue 1722 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4b6f Discovery of an Allosteric Mechanism for the Regulation of Hcv Ns3 Protein Function.
Resolution2.89 Å
Binding residue
(original residue number in PDB)		D81 C525 V630
Binding residue
(residue number reindexed from 1)		D79 C523 V628
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) T10 C16 H57 D81 G137 S139
Catalytic site (residue number reindexed from 1) T8 C14 H55 D79 G135 S137
Enzyme Commision number 2.7.7.48: RNA-directed RNA polymerase.
3.4.21.98: hepacivirin.
3.4.22.-
3.6.1.15: nucleoside-triphosphate phosphatase.
3.6.4.13: RNA helicase.
Gene Ontology
Molecular Function
GO:0004386 helicase activity
GO:0005524 ATP binding
GO:0008236 serine-type peptidase activity
Biological Process
GO:0006508 proteolysis
GO:0019087 transformation of host cell by virus

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:4b6f, PDBe:4b6f, PDBj:4b6f
PDBsum4b6f
PubMed23023261
UniProtP26663|POLG_HCVBK Genome polyprotein

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