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Ligand · XFH

XFH · 6-(2-{3-[2-(2-amino-6-methylpyridin-4-yl)ethyl]phenyl}ethyl)-4-methylpyridin-2-amine

XFH, 6-(2-{3-[2-(2-amino-6-methylpyridin-4-yl)ethyl]phenyl}ethyl)-4-methylpyridin-2-amine (C22 H26 N4, 346.5 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (3 PDB entries). Every binding site with its residues within 4.5…

Component
XFH
Formula
C22 H26 N4
Class
ligand
Structures
6
PDB entries
3

Binding sites

XFH in 6 structures; the first of them:

  • 3N5R · Structure of endothelial nitric oxide synthase heme domain complexed with… · XFH A800 · binds LEU107, GLN249, PRO336, VAL338, ASN340, MET341, PHE355, SER356 and 7 more
  • 3N5V · Structure of neuronal nitric oxide synthase heme domain in complex with… · XFH A800 · binds MET336, PRO565, VAL567, ASN569, MET570, PHE584, SER585, GLY586 and 6 more
  • 3N68 · Structure of endothelial nitric oxide synthase heme domain N368D/V106M double mutant… · XFH A800 · binds LEU107, GLN249, PRO336, VAL338, ASN340, MET341, PHE355, SER356 and 7 more
  • 3N5R · Structure of endothelial nitric oxide synthase heme domain complexed with… · XFH A800 · binds LEU107, GLN249, PRO336, VAL338, ASN340, MET341, PHE355, SER356 and 7 more
  • 3N5V · Structure of neuronal nitric oxide synthase heme domain in complex with… · XFH A800 · binds MET336, PRO565, VAL567, ASN569, MET570, PHE584, SER585, GLY586 and 6 more
  • 3N68 · Structure of endothelial nitric oxide synthase heme domain N368D/V106M double mutant… · XFH A800 · binds LEU107, GLN249, PRO336, VAL338, ASN340, MET341, PHE355, SER356 and 7 more

Residues it binds most

MET 12, TYR 12, GLN 12, SER 12, ASN 12, GLU 12, GLY 12, PHE 12, PRO 12, TRP 12 (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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