GL1X · GenesisL1 explorer

Ligand · Q13

Q13 · 6,6'-{[(2S,3S)-2-aminobutane-1,3-diyl]bis(oxymethanediyl)}bis(4-methylpyridin-2-amine)

Q13, 6,6'-{[(2S,3S)-2-aminobutane-1,3-diyl]bis(oxymethanediyl)}bis(4-methylpyridin-2-amine) (C18 H27 N5 O2, 345.4 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (3 PDB entries). Every binding site with its residues…

Component
Q13
Formula
C18 H27 N5 O2
Class
ligand
Structures
6
PDB entries
3

Binding sites

Q13 in 6 structures; the first of them:

  • 4K5G · Structure of neuronal nitric oxide synthase heme domain in complex with ((2S… · Q13 A803 · binds MET336, LEU337, ARG414, GLN478, ARG481, PRO565, VAL567, PHE584 and 9 more
  • 4K5K · Structure of bovine endothelial nitric oxide synthase heme domain in complex with ((2S… · Q13 A503 · binds VAL106, LEU107, ARG185, GLN249, PRO336, VAL338, PHE355, SER356 and 7 more
  • 4LWA · Structure of Bacillus subtilis nitric oxide synthase in complex with ((2S… · Q13 A902 · binds HIS128, PRO216, ILE218, PHE235, ASN236, GLY237, TRP238, TYR239 and 4 more
  • 4K5G · Structure of neuronal nitric oxide synthase heme domain in complex with ((2S… · Q13 A803 · binds MET336, LEU337, ARG414, GLN478, ARG481, PRO565, VAL567, PHE584 and 9 more
  • 4K5K · Structure of bovine endothelial nitric oxide synthase heme domain in complex with ((2S… · Q13 A503 · binds VAL106, LEU107, ARG185, GLN249, PRO336, VAL338, PHE355, SER356 and 7 more
  • 4LWA · Structure of bacillus subtilis nitric oxide synthase in complex with ((2S… · Q13 A902 · binds HIS128, PRO216, ILE218, PHE235, ASN236, GLY237, TRP238, TYR239 and 4 more

Residues it binds most

TRP 10, TYR 10, ARG 10, MET 10, VAL 8, GLU 10, GLY 10, PHE 10, PRO 10, GLN 8 (residue and the binding sites it lines).

Found with

  • HEM · Protoporphyrin IX containing Fe
  • H4B · 5,6,7,8-tetrahydrobiopterin
  • ZN · Zinc ion
  • ACT · Acetate ion
  • GOL · Glycerol
  • CL · Chloride ion

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