Mechanistic Insight from Calorimetric Measurements of the Assembly of the Binuclear Metal Active Site of Glycerophosphodiesterase (GpdQ) from Enterobacter aerogenes

Biochemistry. 2017 Jul 5;56(26):3328-3336. doi: 10.1021/acs.biochem.6b01200. Epub 2017 Jun 22.

Abstract

Glycerophosphodiesterase (GpdQ) from Enterobacter aerogenes is a binuclear metallohydrolase with a high affinity for metal ions at its α site but a lower affinity at its β site in the absence of a substrate. Isothermal titration calorimetry (ITC) has been used to quantify the Co(II) and Mn(II) binding affinities and thermodynamics of the two sites in wild-type GpdQ and two mutants, both in the absence and in the presence of phosphate. Metal ions bind to the six-coordinate α site in an entropically driven process with loss of a proton, while binding at the β site is not detected by ITC. Phosphate enhances the metal affinity of the α site by increasing the binding entropy and the metal affinity of the β site by enthalpic (Co) or entropic (Mn) contributions, but no additional loss of protons. Mutations of first- and second-coordination sphere residues at the β site increase the metal affinity of both sites by enhancing the binding enthalpy. In particular, loss of the hydrogen bond from second-sphere Ser127 to the metal-coordinating Asn80 has a significant effect on the metal binding thermodynamics that result in a resting binuclear active site with high catalytic activity. While structural and spectroscopic data with excess metal ions have indicated a bridging hydroxide in the binuclear GpdQ site, analysis of ITC data here reveals the loss of a single proton in the assembly of this site, indicating that the metal-bound hydroxide nucleophile is formed in the resting inactive mononuclear form, which becomes catalytically competent upon binding the second metal ion.

Publication types

  • Comparative Study

MeSH terms

  • Amino Acid Substitution
  • Asparagine / chemistry
  • Bacterial Proteins / chemistry
  • Bacterial Proteins / genetics
  • Bacterial Proteins / metabolism*
  • Binding Sites
  • Calorimetry
  • Catalytic Domain
  • Cobalt / metabolism*
  • Enterobacter aerogenes / enzymology*
  • Enzyme Activation
  • Hydrogen Bonding
  • Kinetics
  • Manganese / metabolism*
  • Mutation
  • Phosphoric Diester Hydrolases / chemistry
  • Phosphoric Diester Hydrolases / genetics
  • Phosphoric Diester Hydrolases / metabolism*
  • Phosphorus / chemistry
  • Recombinant Proteins / chemistry
  • Recombinant Proteins / metabolism
  • Serine / chemistry
  • Thermodynamics
  • Titrimetry

Substances

  • Bacterial Proteins
  • Recombinant Proteins
  • Phosphorus
  • Cobalt
  • Manganese
  • Serine
  • Asparagine
  • Phosphoric Diester Hydrolases
  • glycerophosphodiester phosphodiesterase