Structure of PDB 5fps Chain B Binding Site BS01

Receptor Information
>5fps 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 IDUP8
InChIInChI=1S/C8H7NO4/c9-5-3-1-2-4(7(10)11)6(5)8(12)13/h1-3H,9H2,(H,10,11)(H,12,13)
InChIKeyWGLQHUKCXBXUDV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1cc(c(c(c1)N)C(=O)O)C(=O)O
CACTVS 3.385Nc1cccc(C(O)=O)c1C(O)=O
FormulaC8 H7 N O4
Name3-AMINOBENZENE-1,2-DICARBOXYLIC ACID
ChEMBLCHEMBL2420929
DrugBank
ZINCZINC000000389579
PDB chain5fps Chain B Residue 1721 [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]
PDB5fps Detection of Secondary Binding Sites in Proteins Using Fragment Screening.
Resolution2.68 Å
Binding residue
(original residue number in PDB)		G207 G209 S211 T212
Binding residue
(residue number reindexed from 1)		G218 G220 S222 T223
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

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5fps, PDBe:5fps, PDBj:5fps
PDBsum5fps
PubMed26655740
UniProtP26663|POLG_HCVBK Genome polyprotein

[Back to BioLiP]