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Ligand · K8F

K8F · 6-[3-(3,3-difluoroazetidin-1-yl)propyl]-4-methylpyridin-2-amine

K8F, 6-[3-(3,3-difluoroazetidin-1-yl)propyl]-4-methylpyridin-2-amine (C12 H17 F2 N3, 241.3 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (3 PDB entries). Every binding site with its residues within 4.5 Å, the residues…

Component
K8F
Formula
C12 H17 F2 N3
Class
ligand
Structures
6
PDB entries
3

Binding sites

K8F in 6 structures; the first of them:

  • 7TS2 · Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in… · K8F A803 · binds GLN483, PRO570, VAL572, PHE589, SER590, GLY591, TRP592, TYR593 and 3 more
  • 7TSE · Structure of rat neuronal nitric oxide synthase R349A mutant heme domain in complex with… · K8F A803 · binds GLN478, PRO565, VAL567, PHE584, SER585, GLY586, TRP587, TYR588 and 3 more
  • 7TSO · Structure of human endothelial nitric oxide synthase heme domain in complex with… · K8F A503 · binds GLN247, PRO334, VAL336, PHE353, SER354, GLY355, TRP356, TYR357 and 3 more
  • 7TS2 · Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in… · K8F A803 · binds GLN483, PRO570, VAL572, PHE589, SER590, GLY591, TRP592, TYR593 and 3 more
  • 7TSE · Structure of rat neuronal nitric oxide synthase R349A mutant heme domain in complex with… · K8F A803 · binds GLN478, PRO565, VAL567, PHE584, SER585, GLY586, TRP587, TYR588 and 2 more
  • 7TSO · Structure of human endothelial nitric oxide synthase heme domain in complex with… · K8F A503 · binds GLN247, VAL336, PHE353, GLY355, TRP356, TYR357, MET358, GLU361

Residues it binds most

TRP 18, TYR 18, GLN 18, GLU 18, GLY 18, PHE 18, VAL 18, PRO 17, SER 16, MET 14 (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
  • ACT · Acetate ion
  • BTB · 2-[bis-(2-hydroxy-ethyl)-amino]-2-hydroxymethyl-propane-1,3-diol

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