Structure of PDB 3kqu Chain A Binding Site BS04

Receptor Information

>3kqu Chain A (length=437) Species: 333284 (Hepatitis C virus (isolate Con1))

SPPAVPQTFQVAHLHAPTGSGKSTKVPAAYAAQGYKVLVLNPSVAATLGF
GAYMSKAHGIDPNIRTGVRTITTGAPITYSTYGKFLADGGCSGGAYDIII
CDECHSTDSTTILGIGTVLDQAETAGARLVVLATATPPGSVTVPHPNIEE
VALSSTGEIPFYGKAIPIETIKGGRHLIFCHSKKKCDELAAKLSGLGLNA
VAYYRGLDVSVIPTSGDVIVVATDALMTGFTGDFDSVIDCNTCVTQTVDF
SLDPTFTIETTTVPQDAVSRSQRRGRTGRGRMGIYRFVTPGERPSGMFDS
SVLCECYDAGCAWYELTPAETSVRLRAYLNTPGLPVCQDHLEFWESVFTG
LTHIDAHFLSQTKQAGDNFPYLVAYQATVCARAQAPPPSWDQMWKCLIRL
KPTLHGPTPLLYRLGAVQNEVTTTHPITKYIMACMSA

Ligand information

• Ligand ID: MN
• InChI: InChI=1S/Mn/q+2
• InChIKey: WAEMQWOKJMHJLA-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mn+2]
  CACTVS 3.341: [Mn++]
• Formula: Mn
• Name: MANGANESE (II) ION
• DrugBank: DB06757
• PDB chain: 3kqu Chain A Residue 3

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3kqu Inaugural Article: Three conformational snapshots of the hepatitis C virus NS3 helicase reveal a ratchet translocation mechanism.
• Resolution: 2.4 Å
• Binding residue (original residue number in PDB): S211 D290 E291
• Binding residue (residue number reindexed from 1): S23 D102 E103
• Annotation score: 1

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:0004386 helicase activity
• GO:0005524 ATP binding

External links

• PDB: RCSB:3kqu, PDBe:3kqu, PDBj:3kqu
• PDBsum: 3kqu
• PubMed: 20080715
• UniProt: Q9WMX2|POLG_HCVCO Genome polyprotein