Structure of PDB 7h2e Chain B Binding Site BS01

Receptor Information

>7h2e Chain B (length=156) Species: 64320 (Zika virus)

GETTDGVYRVMTRRLLGSTQVGVGVMQEGVFHTMWHVTKGAALRSGEGRL
DPYWGDVKQDLVSYCGPWKLDAAWDGLSEVQLLAVPPGERAKNIQTLPGI
FKTKDGDIGAVALDYPAGTSGSPILDKCGRVIGLYGNGVVIKNGSYVSAI
TQGKRE

Ligand information

• Ligand ID: A1AJ5
• InChI: InChI=1S/C10H12N4/c1-8(11)10-7-14(13-12-10)9-5-3-2-4-6-9/h2-8H,11H2,1H3/t8-/m0/s1
• InChIKey: WHLMWNCAOOBOTJ-QMMMGPOBSA-N
• SMILES:
  CACTVS 3.385: C[C@H](N)c1cn(nn1)c2ccccc2
  CACTVS 3.385: C[CH](N)c1cn(nn1)c2ccccc2
  ACDLabs 12.01: CC(N)c1cn(nn1)c1ccccc1
  OpenEye OEToolkits 2.0.7: CC(c1cn(nn1)c2ccccc2)N
  OpenEye OEToolkits 2.0.7: C[C@@H](c1cn(nn1)c2ccccc2)N
• Formula: C10 H12 N4
• Name: (1S)-1-(1-phenyl-1H-1,2,3-triazol-4-yl)ethan-1-amine
• PDB chain: 7h2e Chain B Residue 203

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7h2e PanDDA analysis group deposition of ZIKV NS2B-NS3 protease
• Resolution: 1.36 Å
• Binding residue (original residue number in PDB): D129 P131
• Binding residue (residue number reindexed from 1): D114 P116
• 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:0005524 ATP binding

External links

• PDB: RCSB:7h2e, PDBe:7h2e, PDBj:7h2e
• PDBsum: 7h2e
• UniProt: Q32ZE1|POLG_ZIKV Genome polyprotein