CATCH Peptides Coassemble into Structurally Heterogeneous β-Sheet Nanofibers with Little Preference to β-Strand Alignment
| Autor: | Carol K. Hall, Yiming Wang, Renjie Liu, Anant K. Paravastu, Annabelle H Lint, Gregory A. Hudalla, Kong M. Wong, Qing Shao, Dillon T. Seroski |
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| Rok vydání: | 2021 |
| Předmět: |
chemistry.chemical_classification
Chemistry Nanofibers Beta sheet Peptide Molecular Dynamics Simulation Antiparallel (biochemistry) Surfaces Coatings and Films Amino acid Molecular dynamics Protein structure Nanofiber Materials Chemistry Biophysics Protein Conformation beta-Strand Amino Acid Sequence Physical and Theoretical Chemistry Peptides Peptide sequence |
| Zdroj: | The Journal of Physical Chemistry B. 125:4004-4015 |
| ISSN: | 1520-5207 1520-6106 |
| DOI: | 10.1021/acs.jpcb.0c11645 |
| Popis: | Coassembling peptides offer an additional degree of freedom in the design of nanostructured biomaterials when compared to analogous self-assembling peptides. Yet, our understanding of how amino acid sequences encodes coassembled nanofiber structure is limited. Prior work on a charge-complementary pair, CATCH+ and CATCH- peptides, detected like-peptide nearest neighbors (CATCH+:CATCH+ and CATCH-:CATCH-) within coassembled β-sheet nanofibers; these self-associated peptide pairs marked a departure from an "ideal" coassembled structure. In this work, we employ solid-state NMR, isotope-edited FTIR, and coarse-grained molecular dynamics simulations to evaluate the alignment of β-strands within CATCH peptide nanofibers. Both experimental and computational results suggest that CATCH molecules coassemble into structurally heterogeneous nanofibers, which is consistent with our observations in another coassembling system, the King-Webb peptides. Within β-sheet nanofibers, β-strands were found to have nearest neighbors aligned in-register parallel, in-register antiparallel, and out-of-register. In comparison to the King-Webb peptides, CATCH nanofibers exhibit a greater degree of structural heterogeneity. By comparing the amino acid sequences of CATCH and King-Webb peptides, we can begin to unravel sequence-to-structure relationships, which may encode more precise coassembled β-sheet nanostructures. |
| Databáze: | OpenAIRE |
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