Structure of PDB 5wdx Chain A Binding Site BS01

Receptor Information

>5wdx Chain A (length=642)

GCVSIIGRLHVNQRASITAYAQQTRGLLGAIVVSMTGRDRTEQAGEVQIL
STVSQSFLGTTISGVLWTVYHGAGNKTLAGLRGPVTQMYSSAEGDLVGWP
SPPGTKSLEPCKCGAVDLYLVTRNADVIPARRRGDKRGALLSPRPISTLK
GSSGGPVLCPRGHVVGLFRAAVCSRGVAKSIDFIPVETLDVVTRSSDNST
PPAVPQTYQVGYLHAPTGSGKSTKVPVAYAAQGYKVLVLNPSVAATLGFG
AYLSKAHGINPNIRTGVRTVMTGEAITYSTYGKFLADGGCASGAYDIIIC
DECHAVDATSILGIGTVLDQAETAGVRLTVLATATPPGSVTTPHPDIEEV
GLGREGEIPFYGRAIPLSCIKGGRHLIFCHSKKKCDELAAALRGMGLNAV
AYYRGLDVSIIPAQGDVVVVATDALMTGYTGDFDSVIDCNVAVTQAVDFS
LDPTFTITTQTVPQDAVSRSQRRGRTGRGRQGTYRYVSTGERASGMFDSV
VLCECYDAGAAWYDLTPAETTVRLRAYFNTPGLPVCQDHLEFWEAVFTGL
THIDAHFLSQTKQAGENFAYLVAYQATVCARAKAPPPSWDAMWKCLARLK
PTLAGPTPLLYRLGPITNEVTLTHPGTKYIATCMQADLEVMT

Ligand information

• Ligand ID: ZN
• InChI: InChI=1S/Zn/q+2
• InChIKey: PTFCDOFLOPIGGS-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Zn++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Zn+2]
• Formula: Zn
• Name: ZINC ION
• ChEMBL: CHEMBL1236970
• DrugBank: DB14532
• PDB chain: 5wdx Chain A Residue 701

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5wdx NS3 from Hepatitis C Virus Strain JFH-1 Is an Unusually Robust Helicase That Is Primed To Bind and Unwind Viral RNA.
• Resolution: 2.23 Å
• Binding residue (original residue number in PDB): C97 C145 H149
• Binding residue (residue number reindexed from 1): C111 C159 H163
• Annotation score: 1

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

External links

• PDB: RCSB:5wdx, PDBe:5wdx, PDBj:5wdx
• PDBsum: 5wdx
• PubMed: 29070684
• UniProt: R9TEU1