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Ligand · OOA

OOA · 3-oxooctanoic acid

OOA, 3-oxooctanoic acid (C8 H14 O3, 158.2 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
OOA
Formula
C8 H14 O3
Class
ligand
Structures
3
PDB entries
2

Binding sites

OOA in 3 structures; the first of them:

  • 6FX1 · Crystal structure of Pholiota squarrosa lectin in complex with an octasaccharide · OOA A108 · binds GLY24, ASP25, VAL5, LYS7, LEU8, LEU8, VAL5, THR6 and 2 more
  • 5X9I · Unique choloylglycine HYDROLASE(CGH) member mutant (C1S) from shewanella loihica pv-4 · OOA A401 · binds SER1, ARG16, ALA18, ASP19, PHE26, ILE64, GLU66, PHE70 and 7 more
  • 6FX1 · Crystal structure of pholiota squarrosa lectin in complex with an octasaccharide · OOA A108 · binds GLY24, ASP25, VAL5, LYS7, LEU8, VAL5, LYS7, LEU8

Residues it binds most

LEU 4, PHE 2, ALA 2, ASP 4, GLY 4, LYS 2, SER 2, VAL 2, ARG 2, GLU 2 (residue and the binding sites it lines).

Found with

  • C4W · 1-azido-beta-N-acetyl-D-glucosamine
  • BMA · beta-D-mannopyranose
  • FUC · alpha-L-fucopyranose
  • MAN · alpha-D-mannopyranose
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • MLI · Malonate ion
  • GOL · Glycerol

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