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

被引：30

作者：

Gray, Geoffrey M. ^{[1
]}

van der Vaart, Arjan ^{[1
]}

Guo, Chengchen ^{[2
,3
]}

Jones, Justin ^{[4
,5
]}

Onofrei, David ^{[6
]}

Cherry, Brian R. ^{[2
,3
]}

Lewis, Randolph V. ^{[4
,5
]}

Yarger, Jeffery L. ^{[2
,3
]}

Holland, Gregory P. ^{[6
]}

机构：

[1] Univ S Florida, Dept Chem, 4202 East Fowler Ave CHE 205, Tampa, FL 33620 USA

[2] Arizona State Univ, Sch Mol Sci, Tempe, AZ 85287 USA

[3] Arizona State Univ, Magnet Resonance Res Ctr, Tempe, AZ 85287 USA

[4] Utah State Univ, Dept Biol, 650 East 1600 North, North Logan, UT 84341 USA

[5] Utah State Univ, Synthet Biomfg Ctr, 650 East 1600 North, North Logan, UT 84341 USA

[6] San Diego State Univ, Dept Chem & Biochem, 5500 Campanile Dr, San Diego, CA 92182 USA

来源：

INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES | 2016年 / 17卷 / 12期

基金：

美国国家科学基金会;

关键词：

spider silk; NMR; solid-state NMR; molecular dynamics; secondary structure; SOLID-STATE NMR; NUCLEAR-MAGNETIC-RESONANCE; C-13; CHEMICAL-SHIFTS; MOLECULAR-DYNAMICS; CONFORMATIONAL CHARACTERIZATION; GENERALIZED BORN; SEQUENCES; PROTEINS; MODEL; SIMULATIONS;

D O I：

10.3390/ijms17122023

中图分类号：

Q5 [生物化学]; Q7 [分子生物学];

学科分类号：

071010 ; 081704 ;

摘要：

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-beta-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 beta-turns, 3(10)-helicies, and coil structures with a negligible population of alpha-helix observed.

引用

页数：13

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