GL1X · GenesisL1 explorer

Ligand · 1EV

1EV · 3,5-bis[2-(6-amino-4-methylpyridin-2-yl)ethyl]benzonitrile

1EV, 3,5-bis[2-(6-amino-4-methylpyridin-2-yl)ethyl]benzonitrile (C23 H25 N5, 371.5 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (3 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds…

Component
1EV
Formula
C23 H25 N5
Class
ligand
Structures
6
PDB entries
3

Binding sites

1EV in 6 structures; the first of them:

  • 4IMW · Structure of rat neuronal nitric oxide synthase in complex with… · 1EV A804 · binds MET336, LEU337, ARG414, GLN478, ARG481, PRO565, VAL567, PHE584 and 11 more
  • 4IMX · Structure of bovine endothelial nitric oxide synthase heme domain in complex with… · 1EV A503 · binds VAL106, LEU107, SER248, GLN249, ARG252, PRO336, VAL338, PHE355 and 9 more
  • 4UG7 · Structure of Bacillus subtilis Nitric Oxide Synthase in complex with… · 1EV A904 · binds ARG65, HIS128, GLN129, ARG132, PRO216, ILE218, PHE235, ASN236 and 9 more
  • 4IMW · Structure of rat neuronal nitric oxide synthase in complex with 3,5… · 1EV A804 · binds MET336, LEU337, ARG414, GLN478, ARG481, PRO565, VAL567, PHE584 and 11 more
  • 4IMX · Structure of bovine endothelial nitric oxide synthase heme domain in complex with… · 1EV A503 · binds VAL106, LEU107, SER248, GLN249, ARG252, PRO336, VAL338, PHE355 and 9 more
  • 4UG7 · Structure of bacillus subtilis nitric oxide synthase in complex with… · 1EV A904 · binds ARG65, HIS128, GLN129, ARG132, PRO216, ILE218, PHE235, ASN236 and 9 more

Residues it binds most

TRP 10, ARG 10, TYR 10, MET 10, SER 8, GLN 10, GLU 10, GLY 10, PHE 10, PRO 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
  • GOL · Glycerol
  • CAD · Cacodylic acid
  • CL · Chloride ion

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