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Ligand · TUE

TUE · 7-[[5-[(methylideneamino)methyl]pyridin-3-yl]oxymethyl]quinolin-2-amine

TUE, 7-[[5-[(methylideneamino)methyl]pyridin-3-yl]oxymethyl]quinolin-2-amine (C17 H16 N4 O, 292.3 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (3 PDB entries). Every binding site with its residues within 4.5 Å, the…

Component
TUE
Formula
C17 H16 N4 O
Class
ligand
Structures
3
PDB entries
3

Binding sites

TUE in 3 structures; the first of them:

  • 5ADC · Structure of rat neuronal nitric oxide synthase heme domain in complex with… · TUE A800 · binds MET336, PRO565, VAL567, ASN569, MET570, PHE584, GLY586, TRP587 and 5 more
  • 5ADI · Structure of human nNOS R354A G357D mutant heme domain in complex with… · TUE A800 · binds MET341, PRO570, VAL572, ASN574, MET575, PHE589, GLY591, TRP592 and 5 more
  • 5G6Q · Structure of Bacillus subtilis Nitric Oxide Synthase in complex with… · TUE A904 · binds HIS128, PRO216, ILE218, ASP220, MET221, PHE235, GLY237, TRP238 and 5 more

Residues it binds most

MET 6, TRP 5, TYR 5, GLU 6, PHE 6, ASN 5, PRO 5, GLY 4, VAL 4, ASP 2 (residue and the binding sites it lines).

Found with

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

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