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Ligand · XFM

XFM · 6-(2-{6-[2-(2-amino-6-methylpyridin-4-yl)ethyl]pyridin-2-yl}ethyl)-4-methylpyridin-2-amine

XFM, 6-(2-{6-[2-(2-amino-6-methylpyridin-4-yl)ethyl]pyridin-2-yl}ethyl)-4-methylpyridin-2-amine (C21 H25 N5, 347.5 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (3 PDB entries). Every binding site with its residues…

Component
XFM
Formula
C21 H25 N5
Class
ligand
Structures
6
PDB entries
3

Binding sites

XFM in 6 structures; the first of them:

  • 3N5P · Structure of endothelial nitric oxide synthase heme domain complexed with… · XFM A800 · binds VAL106, GLN249, PRO336, VAL338, ASN340, MET341, PHE355, SER356 and 7 more
  • 3N5Z · Structure of neuronal nitric oxide synthase heme domain in complex with… · XFM A800 · binds MET336, LEU337, GLN478, PRO565, VAL567, MET570, PHE584, SER585 and 7 more
  • 3N6C · Structure of endothelial nitric oxide synthase H373S single mutant heme domain complexed… · XFM A800 · binds PRO336, VAL338, ASN340, MET341, PHE355, SER356, GLY357, TRP358 and 4 more
  • 3N5P · Structure of endothelial nitric oxide synthase heme domain complexed with… · XFM A800 · binds VAL106, GLN249, PRO336, VAL338, ASN340, MET341, PHE355, SER356 and 7 more
  • 3N5Z · Structure of neuronal nitric oxide synthase heme domain in complex with… · XFM A800 · binds MET336, LEU337, GLN478, PRO565, VAL567, MET570, PHE584, SER585 and 7 more
  • 3N6C · Structure of endothelial nitric oxide synthase H373S single mutant heme domain complexed… · XFM A800 · binds PRO336, VAL338, ASN340, MET341, PHE355, SER356, GLY357, TRP358 and 4 more

Residues it binds most

MET 12, TYR 12, TRP 12, SER 12, VAL 12, GLU 12, GLY 12, PHE 12, PRO 12, GLN 10 (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
  • CAD · Cacodylic acid
  • GOL · Glycerol

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