Binding modes of zaragozic acid A to human squalene synthase and staphylococcal dehydrosqualene synthase

J Biol Chem. 2012 May 25;287(22):18750-7. doi: 10.1074/jbc.M112.351254. Epub 2012 Apr 3.

Abstract

Zaragozic acids (ZAs) belong to a family of fungal metabolites with nanomolar inhibitory activity toward squalene synthase (SQS). The enzyme catalyzes the committed step of sterol synthesis and has attracted attention as a potential target for antilipogenic and antiinfective therapies. Here, we have determined the structure of ZA-A complexed with human SQS. ZA-A binding induces a local conformational change in the substrate binding site, and its C-6 acyl group also extends over to the cofactor binding cavity. In addition, ZA-A effectively inhibits a homologous bacterial enzyme, dehydrosqualene synthase (CrtM), which synthesizes the precursor of staphyloxanthin in Staphylococcus aureus to cope with oxidative stress. Size reduction at Tyr(248) in CrtM further increases the ZA-A binding affinity, and it reveals a similar overall inhibitor binding mode to that of human SQS/ZA-A except for the C-6 acyl group. These structures pave the way for further improving selectivity and development of a new generation of anticholesterolemic and antimicrobial inhibitors.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Bridged Bicyclo Compounds, Heterocyclic / metabolism*
  • Farnesyl-Diphosphate Farnesyltransferase / chemistry
  • Farnesyl-Diphosphate Farnesyltransferase / metabolism*
  • Humans
  • Models, Molecular
  • Staphylococcus / enzymology*
  • Tricarboxylic Acids / metabolism*

Substances

  • Bridged Bicyclo Compounds, Heterocyclic
  • Tricarboxylic Acids
  • squalestatin 1
  • Farnesyl-Diphosphate Farnesyltransferase

Associated data

  • PDB/3VJ8
  • PDB/3VJ9
  • PDB/3VJA
  • PDB/3VJB
  • PDB/3VJC
  • PDB/3VJD
  • PDB/3VJE