Structure of PDB 3kqn Chain A Binding Site BS02

Receptor Information

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

SPPAVPQTFQVAHLHAPTGSGKSTKVPAAYAAQGYKVLVLNPSVAATLGF
GAYMSKAHGIDPNIRTGVRTITTGAPITYSTYGKFLADGGCSGGAYDIII
CDECHSTDSTTILGIGTVLDQAETAGARLVVLATATPPGSVTVPHPNIEE
VALSSTGEIPFYGKAIPIETIKGGRHLIFCHSKKKCDELAAKLSGLGLNA
VAYYRGLDVSVIPTSGDVIVVATDALMTGFTGDFDSVIDCNTCVTQTVDF
SLDPTFTIETTTVPQDAVSRSQRRGRTGRGRMGIYRFVTPGERPSGMFDS
SVLCECYDAGCAWYELTPAETSVRLRAYLNTPGLPVCQDHLEFWESVFTG
LTHIDAHFLSQTKQAGDNFPYLVAYQATVCARAQAPPPSWDQMWKCLIRL
KPTLHGPTPLLYRLGAVQNEVTTTHPITKYIMACMSA

Ligand information

• Ligand ID: BEF
• InChI: InChI=1S/Be.3FH/h;3*1H/q+2;;;/p-3
• InChIKey: OGIAHMCCNXDTIE-UHFFFAOYSA-K
• SMILES:
  OpenEye OEToolkits 1.5.0: [Be-](F)(F)F
  ACDLabs 10.04
  CACTVS 3.341: F[Be-](F)F
• Formula: Be F3
• Name: BERYLLIUM TRIFLUORIDE ION
• PDB chain: 3kqn Chain A Residue 1

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3kqn Three conformational snapshots of the hepatitis C virus NS3 helicase reveal a ratchet translocation mechanism.
• Resolution: 2.05 Å
• Binding residue (original residue number in PDB): T206 K210 E291 R464 R467
• Binding residue (residue number reindexed from 1): T18 K22 E103 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:3kqn, PDBe:3kqn, PDBj:3kqn
• PDBsum: 3kqn
• PubMed: 20080715
• UniProt: Q9WMX2|POLG_HCVCO Genome polyprotein