Structure of PDB 2whx Chain A Binding Site BS03

Receptor Information

>2whx Chain A (length=582) Species: 11070 (dengue virus type 4)

GVYRIMQRGLFGKTQVGVGIHMEGVFHTMWHVTRGSVICHERLEPSWADV
RNDMISYGGGWRLGDKWDKEEDVQVLAIEPGKNPKHVQTKPGLFEIGAVT
LDFKPGTSGSPIINKKGKVIGLYGNVSAITQAERIGEPDYEVDEDIFRKK
RLTIMDLHPGAGKTKRILPSIVREALKRRLRTLILAPTRVVAAEMEEALR
GLPIRYQTPAVKSDHTGREIVDLMCHATFTTRLLSSTRVPNYNLIVMDEA
HFTDPCSVAARGYISTRVEMGEAAAIFMTATPPGSTDPFPQSNSPIEDIE
REIPERSWNTGFDWITDYQGKTVWFVPSIKAGNDIANCLRKSGKRVIQLS
RKTFDTEYPKTKLTDWDFVVTTDISEMGANFRAGRVIDPRRCLKPVILTD
GPERVILAGPIPVTPASAAQRRGRIGRNPAQEDDQYVFSGDPLKNDEDHA
HWTEAKMLLDNIYTPEGIIPTLFGPEREKTQAIDGEFRLRGEQRKTFVEL
MRRGDLPVWLSYKVASAGISYKDREWCFTGERNNQILEENMEVEIWTREG
EKKKLRPKWLDARVYADPMALKDFKEFASGRK

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: 2whx Chain A Residue 1620

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2whx Flexibility between the Protease and Helicase Domains of the Dengue Virus Ns3 Protein Conferred by the Linker Region and its Functional Implications.
• Resolution: 2.2 Å
• Binding residue (original residue number in PDB): T200 E285
• Binding residue (residue number reindexed from 1): T164 E249
• 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:0003723 RNA binding
• GO:0003724 RNA helicase activity
• GO:0004386 helicase activity
• GO:0005524 ATP binding

External links

• PDB: RCSB:2whx, PDBe:2whx, PDBj:2whx
• PDBsum: 2whx
• PubMed: 20375022
• UniProt: Q2YHF0|POLG_DEN4T Genome polyprotein