GL1X · GenesisL1 explorer

Ligand · PNX

PNX · 3,7-dimethyl-1-(5-oxohexyl)-3,7-dihydro-1H-purine-2,6-dione

PNX, 3,7-dimethyl-1-(5-oxohexyl)-3,7-dihydro-1H-purine-2,6-dione (C13 H18 N4 O3, 278.3 g/mol), in the MolNFT structures on GenesisL1: bound in 10 records (6 PDB entries). Every binding site with its residues within 4.5 Å, the residues it…

Component
PNX
Formula
C13 H18 N4 O3
Class
ligand
Structures
10
PDB entries
6

Binding sites

PNX in 10 structures; the first of them:

  • 2A3C · Crystal structure of Aspergillus fumigatus chitinase B1 in complex with pentoxifylline · PNX A1434 · binds TYR48, TRP52, PHE76, GLY136, TRP137, THR138, ASP175, GLU177 and 6 more
  • 3ARR · Crystal Structure Analysis of Chitinase A from Vibrio harveyi with novel inhibitors… · PNX A606 · binds TRP275, PHE316, VAL366, GLY367, ASP369, LYS370, ASP392, PHE393 and 3 more
  • 3ARU · Crystal Structure Analysis of Chitinase A from Vibrio harveyi with novel inhibitors… · PNX A606 · binds PHE316, VAL366, GLY367, LYS370, ASP392, PHE393, TRP397, TYR435 and 1 more
  • 3TVX · The structure of PDE4A with pentoxifylline at 2.84A resolution · PNX A902 · binds TYR371, MET485, LEU531, ASN533, PRO534, TYR541, TRP544, THR545 and 6 more
  • 9E18 · Structure of RyR1 in the primed state in the presence of pentoxifylline · PNX A5304 · binds PHE3753, VAL4235, GLU4239, ILE4242, ARG4679, TRP4716, LEU4992, ILE4996 and 5 more
  • 9E19 · Structure of RyR1 in the open state in the presence of pentoxifylline · PNX A5304 · binds PHE3753, VAL4235, GLU4239, ILE4242, GLN4246, ARG4679, TRP4716, ILE4996 and 5 more
  • 2A3C · Crystal structure of aspergillus fumigatus chitinase B1 in complex with pentoxifylline · PNX A1434 · binds TYR48, TRP52, PHE76, GLY136, TRP137, THR138, ASP175, GLU177 and 6 more
  • 3ARR · Crystal structure analysis of chitinase a from vibrio harveyi with novel inhibitors… · PNX A606 · binds TRP275, PHE316, VAL366, GLY367, ASP369, LYS370, ASP392, PHE393 and 3 more
  • 3ARU · Crystal structure analysis of chitinase a from vibrio harveyi with novel inhibitors… · PNX A606 · binds PHE316, VAL366, GLY367, LYS370, ASP392, PHE393, TRP397, TYR435 and 1 more
  • 3TVX · The structure of PDE4A with pentoxifylline at 2.84A resolution · PNX A902 · binds TYR371, MET485, LEU531, ASN533, PRO534, TYR541, TRP544, THR545 and 6 more

Residues it binds most

TRP 28, TYR 26, PHE 28, ARG 18, ASP 14, GLU 18, ILE 12, GLY 14, GLN 12, SER 12 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • SO4 · Sulfate ion
  • ATP · Adenosine-5'-triphosphate
  • CA · Calcium ion
  • MG · Magnesium ion

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.