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Ligand · XFK

XFK · 6-(2-{5-[2-(2-amino-6-methylpyridin-4-yl)ethyl]pyridin-3-yl}ethyl)-4-methylpyridin-2-amine

XFK, 6-(2-{5-[2-(2-amino-6-methylpyridin-4-yl)ethyl]pyridin-3-yl}ethyl)-4-methylpyridin-2-amine (C21 H25 N5, 347.5 g/mol), in the MolNFT structures on GenesisL1: bound in 10 records (5 PDB entries). Every binding site with its residues…

Component
XFK
Formula
C21 H25 N5
Class
ligand
Structures
10
PDB entries
5

Binding sites

XFK in 10 structures; the first of them:

  • 3N5S · Structure of endothelial nitric oxide synthase heme domain complexed with… · XFK A800 · binds VAL106, LEU107, ARG185, GLN249, PRO336, VAL338, PHE355, SER356 and 8 more
  • 3N5X · Structure of neuronal nitric oxide synthase heme domain in complex with… · XFK A800 · binds MET336, LEU337, ARG414, GLN478, PRO565, VAL567, PHE584, SER585 and 9 more
  • 3N6A · Structure of endothelial nitric oxide synthase N368D/V106M double mutant heme domain… · XFK A800 · binds MET106, LEU107, GLN249, PRO336, VAL338, ASN340, PHE355, SER356 and 6 more
  • 3N6G · Structure of endothelial nitric oxide synthase N368D single mutant heme domain complexed… · XFK A800 · binds VAL106, LEU107, ARG185, GLN249, ARG252, PRO336, VAL338, PHE355 and 9 more
  • 4UG5 · Structure of Bacillus subtilis Nitric Oxide Synthase in complex with… · XFK A904 · binds ARG65, GLN129, ARG132, PRO216, ILE218, PHE235, ASN236, GLY237 and 6 more
  • 3N5S · Structure of endothelial nitric oxide synthase heme domain complexed with… · XFK A800 · binds VAL106, LEU107, ARG185, GLN249, PRO336, VAL338, PHE355, SER356 and 8 more
  • 3N5X · Structure of neuronal nitric oxide synthase heme domain in complex with… · XFK A800 · binds MET336, LEU337, ARG414, GLN478, PRO565, VAL567, PHE584, SER585 and 9 more
  • 3N6A · Structure of endothelial nitric oxide synthase N368D/V106M double mutant heme domain… · XFK A800 · binds MET106, LEU107, GLN249, PRO336, VAL338, ASN340, PHE355, SER356 and 6 more
  • 3N6G · Structure of endothelial nitric oxide synthase N368D single mutant heme domain complexed… · XFK A800 · binds VAL106, LEU107, ARG185, GLN249, ARG252, PRO336, VAL338, PHE355 and 9 more
  • 4UG5 · Structure of bacillus subtilis nitric oxide synthase in complex with… · XFK A904 · binds ARG65, GLN129, ARG132, PRO216, ILE218, PHE235, ASN236, GLY237 and 6 more

Residues it binds most

TRP 22, TYR 18, VAL 20, MET 22, ARG 18, PHE 22, GLN 18, GLU 18, GLY 18, PRO 18 (residue and the binding sites it lines).

Found with

  • HEM · Protoporphyrin IX containing Fe
  • H4B · 5,6,7,8-tetrahydrobiopterin
  • ZN · Zinc ion
  • ACT · Acetate ion
  • CAD · Cacodylic acid
  • GOL · Glycerol
  • CL · Chloride ion

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