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Secondary Structure Adopted by the Gly-Gly-X Repetitive Regions of Dragline Spider Silk

Department of Chemistry, University of South Florida, 4202 East Fowler Avenue CHE 205, Tampa, FL 33620-9998, USA
School of Molecular Sciences and the Magnetic Resonance Research Center, Arizona State University, Tempe, AZ 85287-1604, USA
Department of Biology and Synthetic Biomanufacturing Center, Utah State University, 650 East 1600 North, North Logan, UT 84341, USA
Department of Chemistry and Biochemistry, San Diego State University, 5500 Campanile Drive, San Diego, CA 92182-1030, USA
Author to whom correspondence should be addressed.
Academic Editor: John G. Hardy
Int. J. Mol. Sci. 2016, 17(12), 2023;
Received: 14 September 2016 / Revised: 5 November 2016 / Accepted: 18 November 2016 / Published: 2 December 2016
(This article belongs to the Special Issue Silk-Based Materials: From Production to Characterization)
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Solid-state NMR and molecular dynamics (MD) simulations are presented to help elucidate the molecular secondary structure of poly(Gly-Gly-X), which is one of the most common structural repetitive motifs found in orb-weaving dragline spider silk proteins. The combination of NMR and computational experiments provides insight into the molecular secondary structure of poly(Gly-Gly-X) segments and provides further support that these regions are disordered and primarily non-β-sheet. Furthermore, the combination of NMR and MD simulations illustrate the possibility for several secondary structural elements in the poly(Gly-Gly-X) regions of dragline silks, including β-turns, 310-helicies, and coil structures with a negligible population of α-helix observed. View Full-Text
Keywords: spider silk; NMR; solid-state NMR; molecular dynamics; secondary structure spider silk; NMR; solid-state NMR; molecular dynamics; secondary structure

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This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited (CC BY 4.0).

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Gray, G.M.; Van der Vaart, A.; Guo, C.; Jones, J.; Onofrei, D.; Cherry, B.R.; Lewis, R.V.; Yarger, J.L.; Holland, G.P. Secondary Structure Adopted by the Gly-Gly-X Repetitive Regions of Dragline Spider Silk. Int. J. Mol. Sci. 2016, 17, 2023.

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