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LIA paper ACS Nano Just Accepted Manuscript.pdf (934.22 kB)

Identifying the coiled-coil triple helix structure of ß-peptide nanofibers at atomic resolution

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posted on 2023-06-09, 14:52 authored by Andrew J Christofferson, Zahraa S Al-Garawi, Nevena Todorova, Jack Turner, Mark Pasqualino Del Borgo, Louise SerpellLouise Serpell, Marie-Isabel Aguilar, Irene Yarovsky
Peptide self-assembly represents a powerful bottom-up approach to the fabrication of new nanomaterials. ß3-peptides are non-natural peptides composed entirely of ß-amino acids, which have an extra methylene in the backbone and we reported the first fibers derived from the self-assembly of ß3-peptides that adopt unique 14-helical structures. ß3-peptide assemblies represent a class of stable nanomaterials that can be used to generate bio- and magneto-responsive materials with proteolytic stability. However, the three-dimensional structure of many of these materials remains unknown. In order to develop structure-based criteria for the design of new ß3-peptide-based biomaterials with tailored function, we investigated the structure of a tri-ß3-peptide nanoassembly by molecular dynamics simulations and X-ray fiber diffraction analysis. Diffraction data was collected from aligned fibrils formed by Ac-ß3[LIA] in water and used to inform and validate the model structure. Models with threefold radial symmetry resulted in stable fibers with a triple-helical coiled-coil motif and measurable helical pitch and periodicity. The fiber models revealed a hydrophobic core and twist along the fiber axis arising from a maximization of contacts between hydrophobic groups of adjacent tripeptides on the solvent-exposed fiber surface. These atomic structures of macro-scale fibers derived from ß3-peptide-based materials provide valuable insight into the effects of the geometric placement of the side-chains and the influence of solvent on the core fiber structure which is perpetuated in the superstructure morphology.

History

Publication status

  • Published

File Version

  • Accepted version

Journal

ACS Nano

ISSN

1936-0851

Publisher

American Chemical Society

Issue

9

Volume

12

Page range

9101-9109

Department affiliated with

  • Biochemistry Publications

Research groups affiliated with

  • Dementia Research Group Publications

Full text available

  • Yes

Peer reviewed?

  • Yes

Legacy Posted Date

2018-08-31

First Open Access (FOA) Date

2019-08-29

First Compliant Deposit (FCD) Date

2018-08-30

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