Structure of PDB 2jls Chain A Binding Site BS01

Receptor Information

>2jls Chain A (length=443) Species: 408688 (Dengue virus 4 Thailand/0348/1991)

YEVDEDIFRKKRLTIMDLHPGAGKTKRILPSIVREALKRRLRTLILAPTR
VVAAEMEEALRGLPIRYQTPAVKSDHTGREIVDLMCHATFTTRLLSSTRV
PNYNLIVMDEAHFTDPCSVAARGYISTRVEMGEAAAIFMTATPPGSTDPF
PQSNSPIEDIEREIPERSWNTGFDWITDYQGKTVWFVPSIKAGNDIANCL
RKSGKRVIQLSRKTFDTEYPKTKLTDWDFVVTTDISEMGANFRAGRVIDP
RRCLKPVILTDGPERVILAGPIPVTPASAAQRRGRIGRNPAQEDDQYVFS
GDPLKNDEDHAHWTEAKMLLDNIYTPEGIIPTLFGPEREKTQAIDGEFRL
RGEQRKTFVELMRRGDLPVWLSYKVASAGISYKDREWCFTGERNNQILEE
NMEVEIWTREGEKKKLRPKWLDARVYADPMALKDFKEFASGRK

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: 2jls Chain A Residue 1619

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2jls Insights Into RNA Unwinding and ATP Hydrolysis by the Flavivirus Ns3 Protein.
• Resolution: 2.23 Å
• Binding residue (original residue number in PDB): T200 E285
• Binding residue (residue number reindexed from 1): T25 E110
• 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:2jls, PDBe:2jls, PDBj:2jls
• PDBsum: 2jls
• PubMed: 19008861
• UniProt: Q2YHF0|POLG_DEN4T Genome polyprotein