Structure of PDB 5m5b Chain A Binding Site BS02

Receptor Information

>5m5b Chain A (length=261) Species: 64320 (Zika virus)

ETLGEKWKARLNQMSALEFYSYKKSGITEVCREEARRALKDGVATGGHAV
SRGSAKLRWLVERGYLQPYGKVIDLGCGRGGWSYYAATIRKVQEVKGYTK
GGPGHEEPMLVQSYGWNIVRLKSGVDVFHMAAEPCDTLLCDIGESSSSPE
VEEARTLRVLSMVGDWLEKRPGAFCIKVLCPYTSTMMETLERLQRRYGGG
LVRVPLSRNSTHEMYWVSGAKSNTIKSVSTTSQLLLGRMDGPRRPVKYEE
DVNLGSGTRAV

Ligand information

• Ligand ID: SO4
• InChI: InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
• InChIKey: QAOWNCQODCNURD-UHFFFAOYSA-L
• SMILES:
  OpenEye OEToolkits 1.5.0: [O-]S(=O)(=O)[O-]
  CACTVS 3.341: [O-][S]([O-])(=O)=O
  ACDLabs 10.04: [O-]S([O-])(=O)=O
• Formula: O4 S
• Name: SULFATE ION
• DrugBank: DB14546
• PDB chain: 5m5b Chain A Residue 1002

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5m5b Zika Virus Methyltransferase: Structure and Functions for Drug Design Perspectives.
• Resolution: 2.01 Å
• Binding residue (original residue number in PDB): R43 R47 S62 R63 R90
• Binding residue (residue number reindexed from 1): R32 R36 S51 R52 R79
• 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:0004482 mRNA 5'-cap (guanine-N7-)-methyltransferase activity
• GO:0004483 mRNA (nucleoside-2'-O-)-methyltransferase activity
• GO:0008168 methyltransferase activity

Biological Process

• GO:0032259 methylation

External links

• PDB: RCSB:5m5b, PDBe:5m5b, PDBj:5m5b
• PDBsum: 5m5b
• PubMed: 28031359
• UniProt: A0A024B7W1|POLG_ZIKVF Genome polyprotein