Structure of PDB 8b51 Chain B Binding Site BS02

Receptor Information

>8b51 Chain B (length=260) Species: 64286 (Usutu virus)

RTLGEQWKEKLNGLSKEDFLKYRKEAITEVDRSAARKARRDGNKTGGHPV
SRGSAKLRWMVERQFVKPIGKVVDLGCGRGGWSYYAATLKGVQEVRGYTK
GGPGHEEPMLMQSYGWNLVTMKSGVDVYYKPSEPCDTLFCDIGESSSSAE
VEEQRTLRILEMVSDWLQRGPREFCIKVLCPYMPRVMERLEVLQRRYGGG
LVRVPLSRNSNHEMYWVSGAAGNIVHAVNMTSQVLIGRMEKTWHGPKYEE
DVNLGSGTRA

Ligand information

• Ligand ID: GLY
• InChI: InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)
• InChIKey: DHMQDGOQFOQNFH-UHFFFAOYSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C(C(=O)O)N
  CACTVS 3.341: NCC(O)=O
  ACDLabs 10.04: O=C(O)CN
• Formula: C2 H5 N O2
• Name: GLYCINE
• ChEMBL: CHEMBL773
• DrugBank: DB00145
• ZINC: ZINC000004658552
• PDB chain: 8b51 Chain B Residue 302

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8b51 Usutu virus methyltransferase domain in complex with sinefungin
• Resolution: 1.84 Å
• Binding residue (original residue number in PDB): R42 R85
• Binding residue (residue number reindexed from 1): R36 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:8b51, PDBe:8b51, PDBj:8b51
• PDBsum: 8b51
• PubMed: 36334638
• UniProt: Q5WPU5|POLG_USUV Genome polyprotein