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Ligand · KMR

KMR · 4-methyl-6-[3-(4-methylpiperazin-1-yl)propyl]pyridin-2-amine

KMR, 4-methyl-6-[3-(4-methylpiperazin-1-yl)propyl]pyridin-2-amine (C14 H24 N4, 248.4 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it…

Component
KMR
Formula
C14 H24 N4
Class
ligand
Structures
3
PDB entries
2

Binding sites

KMR in 3 structures; the first of them:

  • 7TSC · Structure of rat neuronal nitric oxide synthase R349A mutant heme domain in complex with… · KMR A803 · binds PRO565, VAL567, PHE584, SER585, GLY586, TRP587, TYR588, MET589 and 2 more
  • 7TSC · Structure of rat neuronal nitric oxide synthase R349A mutant heme domain in complex with… · KMR A803 · binds PRO565, VAL567, PHE584, SER585, GLY586, TRP587, TYR588, GLU592 and 1 more
  • 7TSL · Structure of human endothelial nitric oxide synthase heme domain in complex with… · KMR A503 · binds GLN247, PRO334, VAL336, PHE353, SER354, GLY355, TRP356, TYR357 and 2 more

Residues it binds most

TRP 6, GLU 6, GLY 6, PHE 6, PRO 6, SER 6, TYR 6, VAL 6, GLN 4, MET 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
  • GD · Gadolinium atom
  • CL · Chloride ion
  • BTB · 2-[bis-(2-hydroxy-ethyl)-amino]-2-hydroxymethyl-propane-1,3-diol
  • GOL · Glycerol

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