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Ligand · KL4

KL4 · 6-[2-(3-fluoro-5-{2-[(2S)-pyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine

KL4, 6-[2-(3-fluoro-5-{2-[(2S)-pyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine (C20 H26 F N3, 327.4 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (3 PDB entries). Every binding site with its residues within…

Component
KL4
Formula
C20 H26 F N3
Class
ligand
Structures
6
PDB entries
3

Binding sites

KL4 in 6 structures; the first of them:

  • 6NG6 · Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in… · KL4 A803 · binds GLN483, TYR567, PRO570, ALA571, VAL572, PHE589, SER590, GLY591 and 7 more
  • 6NGN · Structure of rat neuronal nitric oxide synthase heme domain in complex with… · KL4 A803 · binds PRO565, VAL567, MET570, PHE584, SER585, GLY586, TRP587, TYR588 and 4 more
  • 6NH3 · Structure of human endothelial nitric oxide synthase heme domain in complex with… · KL4 A502 · binds VAL104, PHE105, GLN247, PRO334, VAL336, PHE353, SER354, GLY355 and 7 more
  • 6NG6 · Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in… · KL4 A803 · binds GLN483, PRO570, VAL572, PHE589, SER590, GLY591, TRP592, TYR593 and 5 more
  • 6NGN · Structure of rat neuronal nitric oxide synthase heme domain in complex with… · KL4 A803 · binds PRO565, VAL567, MET570, PHE584, SER585, GLY586, TRP587, TYR588 and 3 more
  • 6NH3 · Structure of human endothelial nitric oxide synthase heme domain in complex with… · KL4 A502 · binds VAL104, PHE105, PRO334, PHE353, GLY355, TRP356, TYR357, MET358 and 4 more

Residues it binds most

TRP 24, PHE 24, VAL 24, TYR 16, ARG 20, GLU 23, SER 22, MET 15, GLY 16, PRO 16 (residue and the binding sites it lines).

Found with

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

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