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Ligand · QJ2

QJ2 · 6,6'-pentane-1,5-diylbis(4-methylpyridin-2-amine)

QJ2, 6,6'-pentane-1,5-diylbis(4-methylpyridin-2-amine) (C17 H24 N4, 284.4 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and…

Component
QJ2
Formula
C17 H24 N4
Class
ligand
Structures
4
PDB entries
2

Binding sites

QJ2 in 4 structures; the first of them:

  • 4JSE · Structure of rat neuronal nitric oxide synthase heme domain in complex with… · QJ2 A803 · binds LEU322, GLU323, LEU571, GLU573, GLU578, ASN697, TYR698, ARG699 and 4 more
  • 4JSK · Structure of bovine endothelial nitric oxide synthase heme domain in complex with… · QJ2 A503 · binds GLN249, PRO336, VAL338, ASN340, MET341, PHE355, SER356, GLY357 and 5 more
  • 4JSE · Structure of rat neuronal nitric oxide synthase heme domain in complex with… · QJ2 A803 · binds LEU322, GLU323, LEU571, GLU573, GLU578, ASN697, TYR698, ARG699 and 4 more
  • 4JSK · Structure of bovine endothelial nitric oxide synthase heme domain in complex with… · QJ2 A503 · binds GLN249, PRO336, VAL338, ASN340, MET341, PHE355, SER356, GLY357 and 5 more

Residues it binds most

GLU 12, TYR 12, MET 8, SER 12, ARG 8, TRP 8, ASN 12, PHE 12, LEU 6, 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
  • CL · Chloride ion
  • GOL · Glycerol

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