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Ligand · KMI

KMI · 4-methyl-6-{3-[(methylamino)methyl]phenyl}pyridin-2-amine

KMI, 4-methyl-6-{3-[(methylamino)methyl]phenyl}pyridin-2-amine (C14 H17 N3, 227.3 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…

Component
KMI
Formula
C14 H17 N3
Class
ligand
Structures
4
PDB entries
3

Binding sites

KMI in 4 structures; the first of them:

  • 7TSI · Structure of human endothelial nitric oxide synthase heme domain in complex with… · KMI A503 · binds GLN247, PRO334, VAL336, PHE353, SER354, GLY355, TRP356, TYR357 and 4 more
  • 7TS6 · Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in… · KMI A803 · binds GLN483, PRO570, VAL572, PHE589, SER590, GLY591, TRP592, TYR593 and 2 more
  • 7TSA · Structure of rat neuronal nitric oxide synthase R349A/H692F mutant heme domain in complex… · KMI A803 · binds GLN478, PRO565, VAL567, PHE584, SER585, GLY586, TRP587, TYR588 and 3 more
  • 7TSI · Structure of human endothelial nitric oxide synthase heme domain in complex with… · KMI A503 · binds GLN247, PRO334, VAL336, PHE353, SER354, GLY355, TRP356, TYR357 and 3 more

Residues it binds most

TRP 13, GLU 13, GLY 13, MET 13, PHE 13, PRO 13, TYR 13, VAL 13, GLN 12, SER 12 (residue and the binding sites it lines).

Found with

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

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