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Ligand · XH8

XH8 · 7-(((3-(pyridin-3-yl)propyl)amino)methyl)quinolin-2-

XH8, 7-(((3-(pyridin-3-yl)propyl)amino)methyl)quinolin-2- (C18 H20 N4, 292.4 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 most…

Component
XH8
Formula
C18 H20 N4
Class
ligand
Structures
6
PDB entries
3

Binding sites

XH8 in 6 structures; the first of them:

  • 5VUM · Structure of rat neuronal nitric oxide synthase heme domain in complex with… · XH8 A803 · binds MET336, LEU337, PRO565, VAL567, PHE584, TRP587, TYR588, MET589 and 4 more
  • 5VUZ · Structure of human neuronal nitric oxide synthase heme domain in complex with… · XH8 A803 · binds MET341, HIS342, PRO570, VAL572, PHE589, TRP592, TYR593, MET594 and 4 more
  • 5VV7 · Structure of bovine endothelial nitric oxide synthase heme domain in complex with… · XH8 A503 · binds VAL106, LEU107, PRO336, VAL338, PHE355, TRP358, TYR359, MET360 and 4 more
  • 5VUM · Structure of rat neuronal nitric oxide synthase heme domain in complex with… · XH8 A803 · binds MET336, LEU337, PRO565, VAL567, PHE584, TRP587, TYR588, GLU592 and 2 more
  • 5VUZ · Structure of human neuronal nitric oxide synthase heme domain in complex with… · XH8 A803 · binds MET341, HIS342, PRO570, VAL572, PHE589, TRP592, TYR593, GLU597 and 1 more
  • 5VV7 · Structure of bovine endothelial nitric oxide synthase heme domain in complex with… · XH8 A503 · binds VAL106, LEU107, PRO336, VAL338, PHE355, TRP358, TYR359, GLU363 and 1 more

Residues it binds most

TRP 12, TYR 12, VAL 12, MET 10, GLU 12, PRO 12, PHE 11, LEU 8, HIS 4 (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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