Active site and remote contributions to catalysis in methylthioadenosine nucleosidases

Biochemistry. 2015 Apr 21;54(15):2520-9. doi: 10.1021/bi501487w. Epub 2015 Apr 3.

Abstract

5'-Methylthioadenosine/S-adenosyl-l-homocysteine nucleosidases (MTANs) catalyze the hydrolysis of 5'-methylthioadenosine to adenine and 5-methylthioribose. The amino acid sequences of the MTANs from Vibrio cholerae (VcMTAN) and Escherichia coli (EcMTAN) are 60% identical and 75% similar. Protein structure folds and kinetic properties are similar. However, binding of transition-state analogues is dominated by favorable entropy in VcMTAN and by enthalpy in EcMTAN. Catalytic sites of VcMTAN and EcMTAN in contact with reactants differ by two residues; Ala113 and Val153 in VcMTAN are Pro113 and Ile152, respectively, in EcMTAN. We mutated the VcMTAN catalytic site residues to match those of EcMTAN in anticipation of altering its properties toward EcMTAN. Inhibition of VcMTAN by transition-state analogues required filling both active sites of the homodimer. However, in the Val153Ile mutant or double mutants, transition-state analogue binding at one site caused complete inhibition. Therefore, a single amino acid, Val153, alters the catalytic site cooperativity in VcMTAN. The transition-state analogue affinity and thermodynamics in mutant VcMTAN became even more unlike those of EcMTAN, the opposite of expectations from catalytic site similarity; thus, catalytic site contacts in VcMTAN are unable to recapitulate the properties of EcMTAN. X-ray crystal structures of EcMTAN, VcMTAN, and a multiple-site mutant of VcMTAN most closely resembling EcMTAN in catalytic site contacts show no major protein conformational differences. The overall protein architectures of these closely related proteins are implicated in contributing to the catalytic site differences.

Publication types

  • Research Support, N.I.H., Extramural
  • Research Support, Non-U.S. Gov't
  • Research Support, U.S. Gov't, Non-P.H.S.

MeSH terms

  • Adenosine Diphosphate / analogs & derivatives
  • Adenosine Diphosphate / chemistry
  • Adenosine Diphosphate / genetics
  • Adenosine Diphosphate / metabolism
  • Alanine / chemistry
  • Alanine / genetics
  • Alanine / metabolism
  • Amino Acid Substitution
  • Catalysis
  • Catalytic Domain
  • Crystallography, X-Ray
  • Escherichia coli / enzymology*
  • Escherichia coli / genetics
  • Escherichia coli Proteins / chemistry*
  • Escherichia coli Proteins / genetics
  • Escherichia coli Proteins / metabolism
  • Mutation, Missense
  • N-Glycosyl Hydrolases / chemistry*
  • N-Glycosyl Hydrolases / genetics
  • N-Glycosyl Hydrolases / metabolism
  • Thionucleotides / chemistry
  • Thionucleotides / genetics
  • Thionucleotides / metabolism
  • Valine / chemistry
  • Valine / genetics
  • Valine / metabolism
  • Vibrio cholerae / enzymology*
  • Vibrio cholerae / genetics

Substances

  • Escherichia coli Proteins
  • Thionucleotides
  • methylthio-ADP
  • Adenosine Diphosphate
  • N-Glycosyl Hydrolases
  • 5'-methylthioadenosine nucleosidase, E coli
  • Valine
  • Alanine