Structure of PDB 5wdx Chain A Binding Site BS03

Receptor Information
>5wdx Chain A (length=642) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GCVSIIGRLHVNQRASITAYAQQTRGLLGAIVVSMTGRDRTEQAGEVQIL
STVSQSFLGTTISGVLWTVYHGAGNKTLAGLRGPVTQMYSSAEGDLVGWP
SPPGTKSLEPCKCGAVDLYLVTRNADVIPARRRGDKRGALLSPRPISTLK
GSSGGPVLCPRGHVVGLFRAAVCSRGVAKSIDFIPVETLDVVTRSSDNST
PPAVPQTYQVGYLHAPTGSGKSTKVPVAYAAQGYKVLVLNPSVAATLGFG
AYLSKAHGINPNIRTGVRTVMTGEAITYSTYGKFLADGGCASGAYDIIIC
DECHAVDATSILGIGTVLDQAETAGVRLTVLATATPPGSVTTPHPDIEEV
GLGREGEIPFYGRAIPLSCIKGGRHLIFCHSKKKCDELAAALRGMGLNAV
AYYRGLDVSIIPAQGDVVVVATDALMTGYTGDFDSVIDCNVAVTQAVDFS
LDPTFTITTQTVPQDAVSRSQRRGRTGRGRQGTYRYVSTGERASGMFDSV
VLCECYDAGAAWYDLTPAETTVRLRAYFNTPGLPVCQDHLEFWEAVFTGL
THIDAHFLSQTKQAGENFAYLVAYQATVCARAKAPPPSWDAMWKCLARLK
PTLAGPTPLLYRLGPITNEVTLTHPGTKYIATCMQADLEVMT
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain5wdx Chain A Residue 703 [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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PDB5wdx NS3 from Hepatitis C Virus Strain JFH-1 Is an Unusually Robust Helicase That Is Primed To Bind and Unwind Viral RNA.
Resolution2.23 Å
Binding residue
(original residue number in PDB)		K210 A323
Binding residue
(residue number reindexed from 1)		K221 A334
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H57 D81 G137 S139
Catalytic site (residue number reindexed from 1) H71 D95 G151 S153
Enzyme Commision number 3.4.21.98: hepacivirin.
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
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Biological Process
External links
PDB RCSB:5wdx, PDBe:5wdx, PDBj:5wdx
PDBsum5wdx
PubMed29070684
UniProtR9TEU1

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