Structure of PDB 4wtf Chain A Binding Site BS06

Receptor Information
>4wtf Chain A (length=536) 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
RASLISRGGKAAVCGRYLFNWAVKTKLKLTPLPEAR
Ligand information
Ligand ID5GS
InChIInChI=1S/C10H16N2O12P2/c1-10(16)7(14)5(4-22-26(20,21)24-25(17,18)19)23-8(10)12-3-2-6(13)11-9(12)15/h2-3,5,7-8,14,16H,4H2,1H3,(H,20,21)(H,11,13,15)(H2,17,18,19)/t5-,7-,8-,10-/m1/s1
InChIKeyLFWWNDZBFDONAW-VPCXQMTMSA-N
SMILES
SoftwareSMILES
CACTVS 3.385C[C]1(O)[CH](O)[CH](CO[P](O)(=O)O[P](O)(O)=O)O[CH]1N2C=CC(=O)NC2=O
OpenEye OEToolkits 1.9.2CC1(C(C(OC1N2C=CC(=O)NC2=O)COP(=O)(O)OP(=O)(O)O)O)O
CACTVS 3.385C[C@@]1(O)[C@H](O)[C@@H](CO[P](O)(=O)O[P](O)(O)=O)O[C@H]1N2C=CC(=O)NC2=O
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)O
ACDLabs 12.01O=P(O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)C(O)(C2O)C
FormulaC10 H16 N2 O12 P2
Name2'-C-methyluridine 5'-(trihydrogen diphosphate)
ChEMBL
DrugBank
ZINC
PDB chain4wtf Chain A Residue 605 [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]
PDB4wtf Structural basis for RNA replication by the hepatitis C virus polymerase.
Resolution2.65 Å
Binding residue
(original residue number in PDB)		K141 R158 D220 H223 F224 D225 S282 N291 D318
Binding residue
(residue number reindexed from 1)		K142 R159 D221 H224 F225 D226 S283 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:4wtf, PDBe:4wtf, PDBj:4wtf
PDBsum4wtf
PubMed25678663
UniProtQ99IB8|POLG_HCVJF Genome polyprotein

[Back to BioLiP]