Characterization and structural analysis of a versatile aromatic prenyltransferase for imidazole-containing diketopiperazines

Nat Commun. 2025 Jan 2;16(1):144. doi: 10.1038/s41467-024-55537-8.

Abstract

Prenylation modifications of natural products play essential roles in chemical diversity and bioactivities, but imidazole modification prenyltransferases are not well investigated. Here, we discover a dimethylallyl tryptophan synthase family prenyltransferase, AuraA, that catalyzes the rare dimethylallylation on the imidazole moiety in the biosynthesis of aurantiamine. Biochemical assays validate that AuraA could accept both cyclo-(L-Val-L-His) and cyclo-(L-Val-DH-His) as substrates, while the prenylation modes are completely different, yielding C2-regular and C5-reverse products, respectively. Cryo-electron microscopy analysis of AuraA and its two ternary complex structures reveal two distinct modes for receptor binding, demonstrating a tolerance for altered orientations of highly similar receptors. The mutation experiments further demonstrate the promiscuity of AuraA towards imidazole-C-dimethylallylation. In this work, we also characterize a case of AuraA mutant-catalyzed dimethylallylation of imidazole moiety, offering available structural insights into the utilization and engineering of dimethylallyl tryptophan synthase family prenyltransferases.

MeSH terms

  • Bacterial Proteins / chemistry
  • Bacterial Proteins / genetics
  • Bacterial Proteins / metabolism
  • Cryoelectron Microscopy*
  • Diketopiperazines* / chemistry
  • Diketopiperazines* / metabolism
  • Dimethylallyltranstransferase* / chemistry
  • Dimethylallyltranstransferase* / genetics
  • Dimethylallyltranstransferase* / metabolism
  • Imidazoles* / chemistry
  • Imidazoles* / metabolism
  • Models, Molecular
  • Mutation
  • Prenylation
  • Streptomyces / enzymology
  • Streptomyces / genetics
  • Substrate Specificity

Substances

  • Imidazoles
  • Dimethylallyltranstransferase
  • Diketopiperazines
  • imidazole
  • Bacterial Proteins