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Ligand · K9C

K9C · 4-methyl-6-[3-(methylamino)prop-1-yn-1-yl]pyridin-2-amine

K9C, 4-methyl-6-[3-(methylamino)prop-1-yn-1-yl]pyridin-2-amine (C10 H13 N3, 175.2 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 it binds…

Component
K9C
Formula
C10 H13 N3
Class
ligand
Structures
6
PDB entries
3

Binding sites

K9C in 6 structures; the first of them:

  • 7TS5 · Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in… · K9C A803 · binds GLN483, PRO570, VAL572, PHE589, SER590, GLY591, TRP592, TYR593 and 2 more
  • 7TSB · Structure of rat neuronal nitric oxide synthase R349A heme domain in complex with… · K9C A805 · binds GLN478, PRO565, VAL567, PHE584, SER585, GLY586, TRP587, TYR588 and 2 more
  • 7TSK · Structure of human endothelial nitric oxide synthase heme domain in complex with… · K9C A503 · binds GLN247, PRO334, VAL336, PHE353, SER354, GLY355, TRP356, TYR357 and 2 more
  • 7TS5 · Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in… · K9C A803 · binds GLN483, PRO570, VAL572, PHE589, SER590, GLY591, TRP592, TYR593 and 2 more
  • 7TSB · Structure of rat neuronal nitric oxide synthase R349A heme domain in complex with… · K9C A805 · binds GLN478, PRO565, VAL567, PHE584, SER585, GLY586, TRP587, TYR588 and 2 more
  • 7TSK · Structure of human endothelial nitric oxide synthase heme domain in complex with… · K9C A503 · binds GLN247, PRO334, VAL336, PHE353, SER354, GLY355, TRP356, TYR357 and 2 more

Residues it binds most

GLN 18, GLU 18, GLY 18, MET 18, PHE 18, PRO 18, SER 18, TRP 18, TYR 18, VAL 18 (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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