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Ligand · QJ8

QJ8 · 6-({[(3R,5S)-5-{[(6-amino-4-methylpyridin-2-yl)methoxy]methyl}pyrrolidin-3-yl]oxy}methyl)-4-methylpyridin-2-amine

QJ8, 6-({[(3R,5S)-5-{[(6-amino-4-methylpyridin-2-yl)methoxy]methyl}pyrrolidin-3-yl]oxy}methyl)-4-methylpyridin-2-amine (C19 H27 N5 O2, 357.4 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (3 PDB entries). Every binding…

Component
QJ8
Formula
C19 H27 N5 O2
Class
ligand
Structures
6
PDB entries
3

Binding sites

QJ8 in 6 structures; the first of them:

  • 4LUW · Structure of bovine endothelial nitric oxide synthase heme domain in complex with… · QJ8 A503 · binds SER248, GLN249, PRO336, VAL338, ASN340, PHE355, SER356, GLY357 and 8 more
  • 4LUX · Structure of rat neuronal nitric oxide synthase heme domain in complex with… · QJ8 A803 · binds MET336, LEU337, ARG414, GLN478, PRO565, VAL567, PHE584, SER585 and 8 more
  • 4LWB · Structure of Bacillus subtilis nitric oxide synthase in complex with… · QJ8 A902 · binds HIS128, GLN129, PRO216, ILE218, ASP220, PHE235, ASN236, GLY237 and 7 more
  • 4LUW · Structure of bovine endothelial nitric oxide synthase heme domain in complex with… · QJ8 A503 · binds SER248, GLN249, PRO336, VAL338, ASN340, PHE355, SER356, GLY357 and 8 more
  • 4LUX · Structure of rat neuronal nitric oxide synthase heme domain in complex with… · QJ8 A803 · binds MET336, LEU337, ARG414, GLN478, PRO565, VAL567, PHE584, SER585 and 8 more
  • 4LWB · Structure of bacillus subtilis nitric oxide synthase in complex with… · QJ8 A902 · binds HIS128, GLN129, PRO216, ILE218, ASP220, PHE235, ASN236, GLY237 and 7 more

Residues it binds most

TRP 10, TYR 10, MET 10, GLN 10, GLU 10, GLY 10, PHE 10, PRO 10, SER 8, VAL 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
  • CL · Chloride ion

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