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Ligand · E18

E18 · 2-(dimethylamino)ethyl (1Z)-2-phenyl-N-(sulfooxy)ethanimidothioate

E18, 2-(dimethylamino)ethyl (1Z)-2-phenyl-N-(sulfooxy)ethanimidothioate (C12 H18 N2 O4 S2, 318.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the…

Component
E18
Formula
C12 H18 N2 O4 S2
Class
ligand
Structures
2
PDB entries
1

Binding sites

E18 in 2 structures; the first of them:

  • 2WXD · A micromolar O-sulfated thiohydroximate inhibitor bound to plant myrosinase · E18 M1501 · binds GLN39, TRP142, GLN187, TYR189, SER190, THR193, ARG194, ILE257 and 11 more
  • 2WXD · A micromolar O-sulfated thiohydroximate inhibitor bound to plant myrosinase · E18 M1501 · binds GLN39, TRP142, GLN187, TYR189, SER190, THR193, ARG194, ILE257 and 11 more

Residues it binds most

PHE 2, GLU 2, ARG 2, GLN 2, ILE 2, TRP 2, TYR 2, SER 2, THR 2 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • BMA · beta-D-mannopyranose
  • FUC · alpha-L-fucopyranose
  • MAN · alpha-D-mannopyranose
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • XYP · beta-D-xylopyranose
  • SO4 · Sulfate ion
  • GOL · Glycerol

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