Structure of PDB 4b6e Chain B Binding Site BS01

Receptor Information
>4b6e 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 ID10L
InChIInChI=1S/C7H7N3/c8-6-3-1-2-5-4-9-10-7(5)6/h1-4H,8H2,(H,9,10)
InChIKeyOTFFCAGPSWJBDK-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Nc1cccc2cn[nH]c12
OpenEye OEToolkits 1.9.2c1cc2cn[nH]c2c(c1)N
ACDLabs 12.01n2cc1cccc(c1n2)N
FormulaC7 H7 N3
Name1H-indazol-7-amine
ChEMBLCHEMBL463676
DrugBank
ZINCZINC000000112557
PDB chain4b6e Chain B Residue 1722 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB4b6e Discovery of an Allosteric Mechanism for the Regulation of Hcv Ns3 Protein Function.
Resolution2.46 Å
Binding residue
(original residue number in PDB)		D81 V524 C525 Q526
Binding residue
(residue number reindexed from 1)		D79 V522 C523 Q524
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=2.30,IC50>5mM
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:4b6e, PDBe:4b6e, PDBj:4b6e
PDBsum4b6e
PubMed23023261
UniProtP26663|POLG_HCVBK Genome polyprotein

[Back to BioLiP]