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Ligand · OLW

OLW · 3-[({2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}amino)methyl]benzonitrile

OLW, 3-[({2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}amino)methyl]benzonitrile (C17 H16 N6, 304.4 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (3 PDB entries). Every binding site with its residues within 4.5 Å, the…

Component
OLW
Formula
C17 H16 N6
Class
ligand
Structures
6
PDB entries
3

Binding sites

OLW in 6 structures; the first of them:

  • 4D31 · Structure of rat neuronal nitric oxide synthase heme domain in complex with… · OLW A800 · binds MET336, LEU337, GLN478, PRO565, ALA566, VAL567, PHE584, GLY586 and 4 more
  • 4D39 · Structure of bovine endothelial nitric oxide synthase heme domain in complex… · OLW A800 · binds VAL106, LEU107, GLN249, PRO336, ALA337, VAL338, PHE355, SER356 and 5 more
  • 4UCH · Structure of human nNOS R354A G357D mutant heme domain in complex with… · OLW A800 · binds MET341, HIS342, GLN483, PRO570, ALA571, VAL572, PHE589, GLY591 and 4 more
  • 4D31 · Structure of rat neuronal nitric oxide synthase heme domain in complex with… · OLW A800 · binds MET336, LEU337, GLN478, PRO565, ALA566, VAL567, PHE584, GLY586 and 4 more
  • 4D39 · Structure of bovine endothelial nitric oxide synthase heme domain in complex… · OLW A800 · binds VAL106, LEU107, GLN249, PRO336, ALA337, VAL338, PHE355, SER356 and 5 more
  • 4UCH · Structure of human nnos R354A G357D mutant heme domain in complex with… · OLW A800 · binds MET341, HIS342, GLN483, PRO570, ALA571, VAL572, PHE589, GLY591 and 4 more

Residues it binds most

TYR 12, VAL 12, ALA 12, GLN 12, GLU 12, GLY 12, PHE 12, PRO 12, TRP 12, LEU 8 (residue and the binding sites it lines).

Found with

  • H4B · 5,6,7,8-tetrahydrobiopterin
  • HEM · Protoporphyrin IX containing Fe
  • ZN · Zinc ion
  • ACT · Acetate ion
  • MTL · D-mannitol
  • GOL · Glycerol

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