Secondary structure adopted by the Gly-Gly-X repetitive regions of dragline spider silk

Geoffrey M. Gray; Arjan van der Vaart; Chengchen Guo; Justin Jones; David Onofrei; Brian Cherry; Randolph V. Lewis; Jeffery Yarger; Gregory P. Holland

doi:10.3390/ijms17122023

Secondary structure adopted by the Gly-Gly-X repetitive regions of dragline spider silk

Geoffrey M. Gray, Arjan van der Vaart, Chengchen Guo, Justin Jones, David Onofrei, Brian Cherry, Randolph V. Lewis, Jeffery Yarger, Gregory P. Holland

Research output: Contribution to journal › Article › peer-review

28 Scopus citations

Abstract

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 β-helix observed.

Original language	English (US)
Article number	2023
Journal	International journal of molecular sciences
Volume	17
Issue number	12
DOIs	https://doi.org/10.3390/ijms17122023
State	Published - Dec 2 2016

Keywords

Molecular dynamics
NMR
Secondary structure
Solid-state NMR
Spider silk

ASJC Scopus subject areas

Catalysis
Molecular Biology
Spectroscopy
Computer Science Applications
Physical and Theoretical Chemistry
Organic Chemistry
Inorganic Chemistry

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10.3390/ijms17122023

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title = "Secondary structure adopted by the Gly-Gly-X repetitive regions of dragline spider silk",

abstract = "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 β-helix observed.",

keywords = "Molecular dynamics, NMR, Secondary structure, Solid-state NMR, Spider silk",

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AU - Gray, Geoffrey M.

AU - van der Vaart, Arjan

AU - Guo, Chengchen

AU - Jones, Justin

AU - Onofrei, David

AU - Cherry, Brian

AU - Lewis, Randolph V.

AU - Yarger, Jeffery

AU - Holland, Gregory P.

PY - 2016/12/2

Y1 - 2016/12/2

N2 - 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 β-helix observed.

AB - 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 β-helix observed.

KW - Molecular dynamics

KW - NMR

KW - Secondary structure

KW - Solid-state NMR

KW - Spider silk

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Secondary structure adopted by the Gly-Gly-X repetitive regions of dragline spider silk

Abstract

Keywords

ASJC Scopus subject areas

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