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Ligand · QJ4

QJ4 · 6,6'-heptane-1,7-diylbis(4-methylpyridin-2-amine)

QJ4, 6,6'-heptane-1,7-diylbis(4-methylpyridin-2-amine) (C19 H28 N4, 312.4 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
QJ4
Formula
C19 H28 N4
Class
ligand
Structures
4
PDB entries
2

Binding sites

QJ4 in 4 structures; the first of them:

  • 4JSF · Structure of rat neuronal nitric oxide synthase heme domain in complex with… · QJ4 A803 · binds MET336, LEU337, ARG414, GLN478, PRO565, VAL567, PHE584, SER585 and 8 more
  • 4JSL · Structure of bovine endothelial nitric oxide synthase heme domain in complex with… · QJ4 A503 · binds VAL106, LEU107, ARG185, GLN249, PRO336, VAL338, PHE355, SER356 and 8 more
  • 4JSF · Structure of rat neuronal nitric oxide synthase heme domain in complex with… · QJ4 A803 · binds MET336, LEU337, ARG414, GLN478, PRO565, VAL567, PHE584, SER585 and 8 more
  • 4JSL · Structure of bovine endothelial nitric oxide synthase heme domain in complex with… · QJ4 A503 · binds VAL106, LEU107, ARG185, GLN249, PRO336, VAL338, PHE355, SER356 and 8 more

Residues it binds most

TRP 8, TYR 8, MET 8, VAL 8, ARG 8, GLN 8, GLU 8, GLY 8, LEU 8, PHE 8 (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

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