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Ligand · O1J

O1J · (benzyloxy)acetic acid

O1J, (benzyloxy)acetic acid (C9 H10 O3, 166.2 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with it.

Component
O1J
Formula
C9 H10 O3
Class
ligand
Structures
3
PDB entries
2

Binding sites

O1J in 3 structures; the first of them:

  • 5QSK · PanDDA analysis group deposition -- Crystal Structure of human Brachyury G177D variant in… · O1J A301 · binds GLY81, LEU82, TYR88, ILE172, ARG174, MET181, THR183
  • 5QSK · Pandda analysis group deposition -- crystal structure of human brachyury G177D variant in… · O1J A301 · binds GLY81, LEU82, TYR88, ILE172, ARG174, MET181, THR183
  • 7BDA · Notum fragment 900 · O1J A510 · binds TRP128, TYR129, ALA233, THR236, PHE268, ILE291, PHE319, ALA342

Residues it binds most

ILE 3, THR 3, TYR 3, ALA 1, ARG 2, GLY 2, LEU 2, MET 2, PHE 1, TRP 1 (residue and the binding sites it lines).

Found with

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • SO4 · Sulfate ion
  • DMS · Dimethyl sulfoxide

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