Structure of PDB 3kql Chain A Binding Site BS02

Receptor Information

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

SPPAVPQTFQVAHLHAPTGSGKSTKVPAAYAAQGYKVLVLNPSVAATLGF
GAYMSKAHGIDPNIRTGVRTITTGAPITYSTYGKFLADGGCSGGAYDIII
CDECHSTDSTTILGIGTVLDQAETAGARLVVLATATPPGSVTVPHPNIEE
VALSSTGEIPFYGKAIPIETIKGGRHLIFCHSKKKCDELAAKLSGLGLNA
VAYYRGLDVSVIPTSGDVIVVATDALMTGFTGDFDSVIDCNTCVTQTVDF
SLDPTFTIETTTVPQDAVSRSQRRGRTGRGRMGIYRFVTPGERPSGMFDS
SVLCECYDAGCAWYELTPAETSVRLRAYLNTPGLPVCQDHLEFWESVFTG
LTHIDAHFLSQTKQAGDNFPYLVAYQATVCARAQAPPPSWDQMWKCLIRL
KPTLHGPTPLLYRLGAVQNEVTTTHPITKYIMACMSA

Ligand information

• Ligand ID: ALF
• InChI: InChI=1S/Al.4FH/h;4*1H/q+3;;;;/p-4
• InChIKey: UYOMQIYKOOHAMK-UHFFFAOYSA-J
• SMILES:
  ACDLabs 10.04
  CACTVS 3.341
  OpenEye OEToolkits 1.5.0: F[Al-](F)(F)F
• Formula: Al F4
• Name: TETRAFLUOROALUMINATE ION
• DrugBank: DB04444
• PDB chain: 3kql Chain A Residue 1

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3kql Three conformational snapshots of the hepatitis C virus NS3 helicase reveal a ratchet translocation mechanism.
• Resolution: 2.5 Å
• Binding residue (original residue number in PDB): T206 G207 K210 E291 G417 R464 R467
• Binding residue (residue number reindexed from 1): T18 G19 K22 E103 G229 R276 R279
• 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:3kql, PDBe:3kql, PDBj:3kql
• PDBsum: 3kql
• PubMed: 20080715
• UniProt: Q9WMX2|POLG_HCVCO Genome polyprotein