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Ligand · M16

M16 · 7-[4-(2-aminoethyl)phenyl]-4-methylquinolin-2-amine

M16, 7-[4-(2-aminoethyl)phenyl]-4-methylquinolin-2-amine (C18 H19 N3, 277.4 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (3 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most…

Component
M16
Formula
C18 H19 N3
Class
ligand
Structures
4
PDB entries
3

Binding sites

M16 in 4 structures; the first of them:

  • 6POU · Structure of human endothelial nitric oxide synthase heme domain in complex with… · M16 A502 · binds PRO334, VAL336, PHE353, TRP356, TYR357, MET358, GLU361, ARG365 and 2 more
  • 6PMV · Structure of rat neuronal nitric oxide synthase heme domain in complex with… · M16 A803 · binds PRO565, VAL567, PHE584, GLY586, TRP587, TYR588, GLU592, TRP678
  • 6PNA · Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in… · M16 A803 · binds PRO570, VAL572, PHE589, GLY591, TRP592, TYR593, GLU597, TRP683
  • 6POU · Structure of human endothelial nitric oxide synthase heme domain in complex with… · M16 A502 · binds PRO334, VAL336, PHE353, TRP356, TYR357, MET358, GLU361, ARG365 and 2 more

Residues it binds most

TRP 28, PHE 28, VAL 28, TYR 16, GLU 16, HIS 10, PRO 16, ALA 12, ARG 12, MET 12 (residue and the binding sites it lines).

Found with

  • HEM · Protoporphyrin IX containing Fe
  • ZN · Zinc ion
  • GOL · Glycerol
  • H4B · 5,6,7,8-tetrahydrobiopterin
  • GD · Gadolinium atom
  • BTB · 2-[bis-(2-hydroxy-ethyl)-amino]-2-hydroxymethyl-propane-1,3-diol
  • ACT · Acetate ion

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