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Ligand · YI6

YI6 · 2-(4-ethoxyphenyl)ethanoic acid

YI6, 2-(4-ethoxyphenyl)ethanoic acid (C10 H12 O3, 180.2 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (4 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found…

Component
YI6
Formula
C10 H12 O3
Class
ligand
Structures
4
PDB entries
4

Binding sites

YI6 in 4 structures; the first of them:

  • 5FNJ · Native state mass spectrometry, surface plasmon resonance and X-ray crystallography… · YI6 A1267 · binds ILE91, GLN92, HIS94, HIS96, HIS119, VAL121, PHE131, LEU198 and 2 more
  • 5RKV · Pandda analysis group deposition -- crystal structure of phip in complex with Z56877838 · YI6 A1501 · binds CYS1335, ASP1337, ARG1409, LEU1410, PHE1413
  • 6T8T · 3C-like protease from southampton virus complexed with FMOPL000603A. · YI6 B201 · binds VAL82, ARG100, LEU122
  • 7BD5 · Notum fragment 830 · YI6 A504 · binds GLY127, TRP128, TYR129, SER232, ALA233, THR236, PHE268, ILE291

Residues it binds most

PHE 5, ILE 4, THR 3, ASP 2, HIS 1, LEU 3, SER 2, TYR 2, VAL 3, ARG 2 (residue and the binding sites it lines).

Found with

  • DMS · Dimethyl sulfoxide
  • ZN · Zinc ion
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • CL · Chloride ion
  • PO4 · Phosphate ion
  • SO4 · Sulfate ion
  • GOL · Glycerol

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