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Ligand · XFN

XFN · 6,6'-[(5-aminobenzene-1,3-diyl)diethane-2,1-diyl]bis(4-methylpyridin-2-amine)

XFN, 6,6'-[(5-aminobenzene-1,3-diyl)diethane-2,1-diyl]bis(4-methylpyridin-2-amine) (C22 H27 N5, 361.5 g/mol), in the MolNFT structures on GenesisL1: bound in 18 records (9 PDB entries). Every binding site with its residues within 4.5 Å…

Component
XFN
Formula
C22 H27 N5
Class
ligand
Structures
18
PDB entries
9

Binding sites

XFN in 18 structures; the first of them:

  • 3N5Q · Structure of endothelial nitric oxide synthase heme domain complexed with… · XFN A800 · binds VAL106, LEU107, SER248, GLN249, PRO336, VAL338, ASN340, PHE355 and 8 more
  • 3N60 · Structure of neuronal nitric oxide synthase heme domain in complex with… · XFN A800 · binds MET336, GLN478, ARG481, PRO565, VAL567, PHE584, SER585, GLY586 and 10 more
  • 3N63 · Structure of neuronal nitric oxide synthase D597N/M336V mutant heme domain in complex… · XFN A800 · binds VAL336, GLN478, ARG481, PRO565, VAL567, PHE584, SER585, GLY586 and 10 more
  • 3N64 · Structure of neuronal nitric oxide synthase D597N mutant heme domain in complex with… · XFN A800 · binds MET336, GLN478, ARG481, PRO565, VAL567, PHE584, SER585, GLY586 and 10 more
  • 3N66 · Structure of neuronal nitric oxide synthase S602H mutant heme domain in complex with… · XFN A800 · binds MET336, GLN478, ARG481, PRO565, VAL567, PHE584, SER585, GLY586 and 10 more
  • 3N67 · Structure of endothelial nitric oxide synthase N368D/V106M double mutant heme domain… · XFN A800 · binds MET106, SER248, GLN249, ARG252, PRO336, VAL338, ASN340, PHE355 and 10 more
  • 3N6D · Structure of endothelial nitric oxide synthase H373S single mutant heme domain complexed… · XFN A800 · binds SER248, GLN249, PRO336, VAL338, ASN340, PHE355, GLY357, TRP358 and 6 more
  • 3N6E · Structure of endothelial nitric oxide synthase N368D mutant heme domain complexed with… · XFN A800 · binds LEU107, SER248, GLN249, PRO336, VAL338, ASN340, PHE355, SER356 and 8 more
  • 4D3J · Structure of Bacillus subtilis Nitric Oxide Synthase in complex with… · XFN A904 · binds HIS128, GLN129, ARG132, PRO216, ILE218, PHE235, ASN236, GLY237 and 7 more
  • 3N5Q · Structure of endothelial nitric oxide synthase heme domain complexed with… · XFN A800 · binds VAL106, LEU107, SER248, GLN249, PRO336, VAL338, ASN340, PHE355 and 8 more
  • 3N60 · Structure of neuronal nitric oxide synthase heme domain in complex with… · XFN A800 · binds MET336, GLN478, ARG481, PRO565, VAL567, PHE584, SER585, GLY586 and 10 more
  • 3N63 · Structure of neuronal nitric oxide synthase D597N/M336V mutant heme domain in complex… · XFN A800 · binds VAL336, GLN478, ARG481, PRO565, VAL567, PHE584, SER585, GLY586 and 10 more
  • 3N64 · Structure of neuronal nitric oxide synthase D597N mutant heme domain in complex with… · XFN A800 · binds MET336, GLN478, ARG481, PRO565, VAL567, PHE584, SER585, GLY586 and 10 more
  • 3N66 · Structure of neuronal nitric oxide synthase S602H mutant heme domain in complex with… · XFN A800 · binds MET336, GLN478, ARG481, PRO565, VAL567, PHE584, SER585, GLY586 and 10 more
  • 3N67 · Structure of endothelial nitric oxide synthase N368D/V106M double mutant heme domain… · XFN A800 · binds MET106, SER248, GLN249, ARG252, PRO336, VAL338, ASN340, PHE355 and 10 more
  • 3N6D · Structure of endothelial nitric oxide synthase H373S single mutant heme domain complexed… · XFN A800 · binds SER248, GLN249, PRO336, VAL338, ASN340, PHE355, GLY357, TRP358 and 6 more
  • 3N6E · Structure of endothelial nitric oxide synthase N368D mutant heme domain complexed with… · XFN A800 · binds LEU107, SER248, GLN249, PRO336, VAL338, ASN340, PHE355, SER356 and 8 more
  • 4D3J · Structure of bacillus subtilis nitric oxide synthase in complex with… · XFN A904 · binds HIS128, GLN129, ARG132, PRO216, ILE218, PHE235, ASN236, GLY237 and 7 more

Residues it binds most

TRP 34, VAL 32, MET 34, PHE 34, TYR 34, ARG 22, SER 32, GLN 34, GLU 34, GLY 34 (residue and the binding sites it lines).

Found with

  • HEM · Protoporphyrin IX containing Fe
  • ZN · Zinc ion
  • ACT · Acetate ion
  • CL · Chloride ion
  • CAD · Cacodylic acid
  • H4B · 5,6,7,8-tetrahydrobiopterin
  • GOL · Glycerol
  • MTL · D-mannitol
  • PEG · Di(hydroxyethyl)ether
  • POL · N-propanol

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