Unfolding a molecular trefoil derived from a zwitterionic metallopeptide to form self-assembled nanostructures

Ye Zhang, Ning Zhou, Junfeng Shi, Susan Sondej Pochapsky, Thomas C. Pochapsky, Bei Zhang, Xixiang Zhang and Bing Xu ()
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Ye Zhang: Brandeis University
Ning Zhou: Brandeis University
Junfeng Shi: Brandeis University
Susan Sondej Pochapsky: Brandeis University
Thomas C. Pochapsky: Brandeis University
Bei Zhang: Nano-fabrication, Imaging & Characterization Core Lab, King Abdullah University of Science and Technology
Xixiang Zhang: Nano-fabrication, Imaging & Characterization Core Lab, King Abdullah University of Science and Technology
Bing Xu: Brandeis University

Nature Communications, 2015, vol. 6, issue 1, 1-7

Abstract: Abstract While used extensively by nature to control the geometry of protein structures, and dynamics of proteins, such as self-organization, hydration forces and ionic interactions received less attention for controlling the behaviour of small molecules. Here we describe the synthesis and characterization of a novel zwitterionic metallopeptide consisting of a cationic core and three distal anionic groups linked by self-assembling peptide motifs. 2D NMR spectra, total correlated spectroscopy and nuclear Overhauser effect spectroscopy, show that the molecule exhibits a three-fold rotational symmetry and adopts a folded conformation in dimethyl sulfoxide due to Coulombic forces. When hydrated in water, the molecule unfolds to act as a self-assembling building block of supramolecular nanostructures. By combining ionic interactions with the unique geometry from metal complex and hydrophobic interactions from simple peptides, we demonstrate a new and effective way to design molecules for smart materials through mimicking a sophisticated biofunctional system using a conformational switch.

Date: 2015
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DOI: 10.1038/ncomms7165

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