Structure of PDB 5fpy Chain B Binding Site BS01

Receptor Information
>5fpy 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]
GSVVIVGRIILSSITAYSQQTRGLLGCIITSLTGRDKNQVEGEVQVVSTA
TQSFLATCVNGVCWTVYHGAGSKTLAGPKGPITQMYTNVDQDLVGWQAPP
GARSLTPCTCGSSDLYLVTRHADVIPVRRRGDSRGSLLSPRPVSYLKGSS
GGPLLCPSGHAVGIFRAAVCTRGVAKAVDFVPVESMETTMRSPVFTDNSS
PPAVPQSFQVAHLHAPTGSGKSTKVPAAYAAQGYKVLVLNPSVAATLGFG
AYMSKAHGIDPNIRTGVRTITTGAPVTYSTYGKFLADGGCSGGAYDIIIC
DECHSTDSTTILGIGTVLDQAETAGARLVVLATATPPGSVTVPHPNIEEV
ALSNTGEIPFYGKAIPIEAIRGGRHLIFCHSKKKCDELAAKLSGLGINAV
AYYRGLDVSVIPTIGDVVVVATDALMTGYTGDFDSVIDCNTCVTQTVDFS
LDPTFTIETTTVPQDAVSRSQRRGRTGRGRRGIYRFVTPGERPSGMFDSS
VLCECYDAGCAWYELTPAETSVRLRAYLNTPGLPVCQDHLEFWESVFTGL
THIDAHFLSQTKQAGDNFPYLVAYQATVCARAQAPPPSWDQMWKCLIRLK
PTLHGPTPLLYRLGAVQNEVTLTHPITKYIMACMSADLEVVT
Ligand information
Ligand IDR2N
InChIInChI=1S/C10H8BrNO2/c1-12-8-3-2-7(11)4-6(8)5-9(12)10(13)14/h2-5H,1H3,(H,13,14)
InChIKeyGCGFIFNQFLLJIR-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6Cn1c2ccc(cc2cc1C(=O)O)Br
CACTVS 3.385Cn1c(cc2cc(Br)ccc12)C(O)=O
FormulaC10 H8 Br N O2
Name5-bromo-1-methyl-1H-indole-2-carboxylic acid
ChEMBLCHEMBL2314510
DrugBank
ZINCZINC000009482840
PDB chain5fpy Chain B Residue 1721 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5fpy Detection of Secondary Binding Sites in Proteins Using Fragment Screening.
Resolution2.52 Å
Binding residue
(original residue number in PDB)		S370 K371 V432 Q434
Binding residue
(residue number reindexed from 1)		S381 K382 V443 Q445
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) T10 C16 H57 D81 G137 S139
Catalytic site (residue number reindexed from 1) T21 C27 H68 D92 G148 S150
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

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Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5fpy, PDBe:5fpy, PDBj:5fpy
PDBsum5fpy
PubMed26655740
UniProtP26663|POLG_HCVBK Genome polyprotein

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