Structure of PDB 4wtg Chain A Binding Site BS04

Receptor Information
>4wtg Chain A (length=535) Species: 356411 (Hepatitis C virus JFH-1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SSMSYSWTGALITPCGPEEEKLPINPLSNSLLRYHNKVYCTTSKSASQRA
KKVTFDRTQVLDAHYDSVLKDIKLAASKVSARLLTLQQACQLTPPHSARS
KYGFGAKEVRSLSGRAVNHIKSVWKDLLEDPQTPIPTTIMAKNEVFCVDP
AKGGKKPARLIVYPDLGVRVCEKMALYDITQKLPQAVMGASYGFQYSPAQ
RVEYLLKAWAEKKDPMGFSYDTRHFDSTVTERDIRTEESIYQACSLPEEA
RTAIHSLTERLYVGGPMFNSKGQTCGYRRCRASGVLTTSMGNTITCYVKA
LAACKAAGIVAPTMLVCGDDLIVISESQGTEEDERNLRAFTEAMTRYSAP
PGDPPRPEYDLELITSCSSNVSVALGPRGRRRYYLTRDPTTPLARAAWET
VRHSPINSWLGNIIQYAPTIWVRMVLMTHFFSILMVQDTLDQNLGGVNPL
DLPAIIERLHGLDAFSMHTYSHHELTRVASALRKLGAPPLRVWKSRARAV
RASLISRGGKAAVCGRYLFNWAVKTKLKLTPLPEA
Ligand information
Ligand ID6GS
InChIInChI=1S/C10H15FN2O11P2/c1-10(11)7(15)5(4-22-26(20,21)24-25(17,18)19)23-8(10)13-3-2-6(14)12-9(13)16/h2-3,5,7-8,15H,4H2,1H3,(H,20,21)(H,12,14,16)(H2,17,18,19)/t5-,7-,8-,10-/m1/s1
InChIKeyVPPLCOBQDZAMRD-VPCXQMTMSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.9.2CC1(C(C(OC1N2C=CC(=O)NC2=O)COP(=O)(O)OP(=O)(O)O)O)F
OpenEye OEToolkits 1.9.2C[C@]1([C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)OP(=O)(O)O)O)F
CACTVS 3.385C[C@@]1(F)[C@H](O)[C@@H](CO[P](O)(=O)O[P](O)(O)=O)O[C@H]1N2C=CC(=O)NC2=O
ACDLabs 12.01O=P(O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)C(F)(C2O)C
CACTVS 3.385C[C]1(F)[CH](O)[CH](CO[P](O)(=O)O[P](O)(O)=O)O[CH]1N2C=CC(=O)NC2=O
FormulaC10 H15 F N2 O11 P2
Name2'-deoxy-2'-fluoro-2'-methyluridine 5'-(trihydrogen diphosphate)
ChEMBLCHEMBL556224
DrugBank
ZINCZINC000096903058
PDB chain4wtg Chain P Residue 602 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB4wtg Structural basis for RNA replication by the hepatitis C virus polymerase.
Resolution2.9 Å
Binding residue
(original residue number in PDB)		K141 R158 D220 H223 F224 D225 N291 D318
Binding residue
(residue number reindexed from 1)		K142 R159 D221 H224 F225 D226 N292 D319
Annotation score1
Enzymatic activity
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:0003723 RNA binding
GO:0003968 RNA-dependent RNA polymerase activity
Biological Process
GO:0039694 viral RNA genome replication

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:4wtg, PDBe:4wtg, PDBj:4wtg
PDBsum4wtg
PubMed25678663
UniProtQ99IB8|POLG_HCVJF Genome polyprotein

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