Aristolochene synthase: mechanistic analysis of active site residues by site-directed mutagenesis

J Am Chem Soc. 2004 Jun 16;126(23):7212-21. doi: 10.1021/ja0499593.

Abstract

Incubation of farnesyl diphosphate (1) with Penicillium roqueforti aristolochene synthase yielded (+)-aristolochene (4), accompanied by minor quantities of the proposed intermediate (S)-(-)germacrene A (2) and the side-product (-)-valencene (5) in a 94:4:2 ratio. By contrast, the closely related aristolochene synthase from Aspergillus terreus cyclized farnesyl diphosphate only to (+)-aristolochene (4). Site-directed mutagenesis of amino acid residues in two highly conserved Mg(2+)-binding domains led in most cases to reductions in both k(cat) and k(cat)/K(m) as well as increases in the proportion of (S)-(-)germacrene A (2), with the E252Q mutant of the P. roqueforti aristolochene synthase producing only (-)-2. The P. roqueforti D115N, N244L, and S248A/E252D mutants were inactive, as was the A. terreus mutant E227Q. The P. roqueforti mutant Y92F displayed a 100-fold reduction in k(cat) that was offset by a 50-fold decrease in K(m), resulting in a relatively minor 2-fold decrease in catalytic efficiency, k(cat)/K(m). The finding that Y92F produced (+)-aristolochene (4) as 81% of the product, accompanied by 7% 5 and 12% 2, rules out Tyr-92 as the active site Lewis acid that is responsible for protonation of the germacrene A intermediate in the formation of aristolochene (4).

Publication types

  • Research Support, U.S. Gov't, P.H.S.

MeSH terms

  • Aspartic Acid / genetics
  • Aspartic Acid / metabolism
  • Aspergillus / enzymology
  • Aspergillus / genetics
  • Binding Sites
  • Catalysis
  • Gas Chromatography-Mass Spectrometry
  • Hydrocarbons / chemistry
  • Hydrogen-Ion Concentration
  • Isomerases / chemistry*
  • Isomerases / genetics
  • Isomerases / metabolism*
  • Kinetics
  • Magnesium / metabolism
  • Models, Molecular
  • Molecular Structure
  • Mutagenesis, Site-Directed / genetics*
  • Penicillium / enzymology*
  • Penicillium / genetics
  • Protein Structure, Tertiary
  • Sesquiterpenes, Germacrane / chemistry
  • Temperature
  • Tyrosine / genetics
  • Tyrosine / metabolism

Substances

  • Hydrocarbons
  • Sesquiterpenes, Germacrane
  • germacrene A
  • Aspartic Acid
  • Tyrosine
  • Isomerases
  • aristolochene synthase
  • Magnesium