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A Comprehensive Structural and Functional Analysis of Saccharomyces Killer Toxins
Jack W Creagh1, Lily L Givens1, David C Reetz1
1Department of Biological Sciences, University of Idaho, Moscow, ID 83844, USA.
Toxins
|May 26, 2026
Summary
Antifungal killer toxins from yeast were structurally modeled using AlphaFold. This revealed their potential as ionophores and provided insights into their antifungal mechanisms against pathogens.
Area of Science:
- Biochemistry
- Structural Biology
- Mycology
Background:
- Antifungal killer toxins are proteins with potential to fight fungal threats.
- Lack of tertiary structures hinders understanding of their action and pathogen targeting.
Purpose of the Study:
- To generate tertiary structure models for Saccharomyces killer toxins.
- To predict functional domains, posttranslational modifications, and mechanisms of action.
Main Methods:
- Utilized AlphaFold and molecular dynamics simulations for structure modeling.
- Integrated models with historical empirical data.
Main Results:
- Predicted functional domains and posttranslational modifications.
- Identified unexpected homology, suggesting most are ionophores.
- Homology to known toxins predicted mechanisms for several killer toxins.
- Understudied toxins showed homology to aerolysin and lectin families.
Conclusions:
- Structural modeling provides insights into killer toxin function and mechanisms.
- This approach aids future research on killer toxins using Saccharomyces cerevisiae.
