Structure of PDB 7nxu Chain A Binding Site BS01

Receptor Information

>7nxu Chain A (length=427) Species: 11084 (Tick-borne encephalitis virus)

PQAVVGTGWTSKGQITVLDMHPGSGKTHRVLPELIRQCIDRRLRTLVLAP
TRVVLKEMERALNGKRVRFHSGAIVDVMCHATYVNRRLLGRQNWEVAIMD
EAHWTDPHSIAARGHLYTLAKENKCALVLMTATPPGKSEPFPESNGAITS
EERQIPDGEWRDGFDWITEYEGRTAWFVPSIAKGGAIARTLRQKGKSVIC
LNSKTFEKDYSRVRDEKPDFVVTTDISEMGANLDVSRVIDGRTNIKPEEV
DGKVELTGTRRVTTASAAQRRGRVGRQDGRTDEYIYSGQCDDDDSGLVQW
KEAQILLDNITPVATFYGPEQDKMPEVAGHFRLTEEKRKHFRHLLTHCDF
TPWLAWHVAANVSSVTDRSWTWEGPEANAVDEASGDLVTFRSPNGAERTL
RPVWKDARMFKEGRDIKEFVAYASGRR

Ligand information

• Ligand ID: PO4
• InChI: InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
• InChIKey: NBIIXXVUZAFLBC-UHFFFAOYSA-K
• SMILES:
  CACTVS 3.341: [O-][P]([O-])([O-])=O
  ACDLabs 10.04: [O-]P([O-])([O-])=O
  OpenEye OEToolkits 1.5.0: [O-]P(=O)([O-])[O-]
• Formula: O4 P
• Name: PHOSPHATE ION
• DrugBank: DB14523
• PDB chain: 7nxu Chain A Residue 701

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7nxu Mechanistic insight into the RNA-stimulated ATPase activity of tick-borne encephalitis virus helicase.
• Resolution: 2.1 Å
• Binding residue (original residue number in PDB): E291 G420 R463 R466
• Binding residue (residue number reindexed from 1): E101 G230 R273 R276
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.1.1.56: mRNA (guanine-N(7))-methyltransferase.
  2.1.1.57: methyltransferase cap1.
  2.7.7.48: RNA-directed RNA polymerase.
  3.4.21.91: flavivirin.
  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:7nxu, PDBe:7nxu, PDBj:7nxu
• PDBsum: 7nxu
• PubMed: 35987382
• UniProt: P14336|POLG_TBEVW Genome polyprotein