Compact Conformation of Ba²⁺-Beauvericin Complex by Triple Cation-π Interactions: Insight into Ion Transport Mechanism from Gas-Phase Structures.

ABSTRACT: Beauvericin (BEA), a natural cyclic hexadepsipeptide ionophore, can selectively transport metal ions through lipid bilayers. Although BEA can transport Ca²⁺ and Ba²⁺, previous studies have not yet revealed its ion-selective transport mechanism. In the present study, we identified a novel conformation of 1:1 BEA complexes selectively stabilized by triple cation-π interactions with Ba²⁺ among alkaline-earth and alkali metal ions, using electrospray ionization-ion mobility-mass spectrometry (ESI-IM-MS). The calculated IR spectrum of this conformation was well reproduced with the experimental IR photodissociation spectrum of the 1:1 BEA complex with Ba²⁺, which was not assigned previously. This conformation can maximize membrane permeability across l

SUBMITTER: Kamioka S 

PROVIDER: S-EPMC12302203 | biostudies-literature | 2025 Jul

REPOSITORIES: biostudies-literature