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Ligand · 3OJ

3OJ · 4-[(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-5-yl)oxy]benzene-1,2-dicarbonitrile

3OJ, 4-[(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-5-yl)oxy]benzene-1,2-dicarbonitrile (C15 H9 B N2 O3, 276.1 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…

Component
3OJ
Formula
C15 H9 B N2 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

3OJ in 2 structures; the first of them:

  • 3O0J · PDE4B In complex with ligand an2898 · 3OJ A485 · binds TYR233, HIS234, HIS238, HIS274, ASP275, HIS278, THR345, MET347 and 8 more
  • 3O0J · PDE4B in complex with ligand AN2898 · 3OJ A485 · binds TYR233, HIS234, HIS238, HIS274, ASP275, HIS278, THR345, MET347 and 8 more

Residues it binds most

HIS 2, ASP 2, MET 2, PHE 2, GLN 2, ILE 2, LEU 2, SER 2, THR 2, TYR 2 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion
  • ZN · Zinc ion
  • EDO · 1,2-ethanediol

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