Dissecting the cofactor-dependent and independent bindings of PDE4 inhibitors

Biochemistry. 2001 Aug 28;40(34):10179-86. doi: 10.1021/bi010096p.

Abstract

Type 4 phosphodiesterases (PDE4s) are metallohydrolases that catalyze the hydrolysis of cAMP to AMP. At the bottom of its active site lie two divalent metal ions in a binuclear motif which are involved in both cAMP binding and catalysis [(2000) Science 288, 1822-1825; (2000) Biochemistry 39, 6449-6458]. Using a SPA-based equilibrium [(3)H]rolipram binding assay, we have determined that Mg(2+), Mn(2+), and Co(2+) all mediated a high-affinity (K(d) between 3 and 8 nM) and near stoichiometric (R)-rolipram binding to PDE4. In their absence, (R)-rolipram binds stoichiometrically to the metal ion-free apoenzyme with a K(d) of approximately 150 nM. The divalent cation dose responses in mediating the high-affinity rolipram/PDE4 interaction mirror their efficacy in catalysis, suggesting that both metal ions of the holoenzyme are involved in mediating the high-affinity (R)-rolipram/PDE4 interaction. The specific rolipram binding to the apo- and holoenzyme is differentially displaced by cAMP, AMP, and other inhibitors, providing a robust tool to dissect the components of metal ion-dependent and independent PDE4/ligand interactions. cAMP binds to the holoenzyme with a K(s) of 1.9 microM and nonproductively to the apoenzyme with a K(d) of 179 microM. In comparison, AMP binds to the holo- and apoenzyme with K(d) values of 7 and 11 mM, respectively. The diminished Mg(2+)-dependent component of AMP binding to PDE4 suggests that most of the Mg(2+)/phosphate interaction in the cAMP/PDE4 complex is disrupted upon the hydrolysis of the cyclic phosphoester bond, leading to the rapid release of AMP.

Publication types

  • Comparative Study

MeSH terms

  • 3',5'-Cyclic-AMP Phosphodiesterases / chemistry*
  • 3',5'-Cyclic-AMP Phosphodiesterases / metabolism*
  • Adenosine Monophosphate / pharmacology
  • Apoenzymes / chemistry
  • Apoenzymes / metabolism
  • Binding Sites
  • Binding, Competitive
  • Cations, Divalent / metabolism
  • Cobalt / metabolism*
  • Cyclic AMP / metabolism
  • Cyclic AMP / pharmacology
  • Cyclic Nucleotide Phosphodiesterases, Type 4
  • Kinetics
  • Ligands
  • Magnesium / metabolism*
  • Manganese / metabolism*
  • Models, Chemical
  • Peptide Fragments / chemistry
  • Peptide Fragments / metabolism
  • Phosphodiesterase Inhibitors / chemistry*
  • Phosphodiesterase Inhibitors / metabolism*
  • Recombinant Fusion Proteins / chemistry
  • Recombinant Fusion Proteins / metabolism
  • Rolipram / chemistry
  • Rolipram / metabolism
  • Stereoisomerism

Substances

  • Apoenzymes
  • Cations, Divalent
  • Ligands
  • Peptide Fragments
  • Phosphodiesterase Inhibitors
  • Recombinant Fusion Proteins
  • Cobalt
  • Adenosine Monophosphate
  • Manganese
  • Cyclic AMP
  • 3',5'-Cyclic-AMP Phosphodiesterases
  • Cyclic Nucleotide Phosphodiesterases, Type 4
  • Magnesium
  • Rolipram