The effects of high concentrations of ionic liquid on GB1 protein structure and dynamics probed by high-resolution magic-angle-spinning NMR spectroscopy

Warner, Lisa; Gjersing, Erica; Follett, Shelby E.; Elliott, K. Wade; Dzyuba, Sergei V.; Varga, Krisztina

doi:10.1016/j.bbrep.2016.08.009

Title: The effects of high concentrations of ionic liquid on GB1 protein structure and dynamics probed by high-resolution magic-angle-spinning NMR spectroscopy

Journal Article · 11 August 2016 · Biochemistry and Biophysics Reports

DOI: https://doi.org/10.1016/j.bbrep.2016.08.009 · OSTI ID:1305434

Warner, Lisa ^[1]; Gjersing, Erica ^[2]; Follett, Shelby E. ^[3]; Elliott, K. Wade ^[3]; Dzyuba, Sergei V. ^[4]; Varga, Krisztina ^[3]

National Renewable Energy Lab. (NREL), Golden, CO (United States); Boise State Univ., Boise, ID (United States)
National Renewable Energy Lab. (NREL), Golden, CO (United States)
Univ. of Wyoming, Laramie, WY (United States)
Texas Christian Univ., Fort Worth, TX (United States)

Ionic liquids have great potential in biological applications and biocatalysis, as some ionic liquids can stabilize proteins and enhance enzyme activity, while others have the opposite effect. However, on the molecular level, probing ionic liquid interactions with proteins, especially in solutions containing high concentrations of ionic liquids, has been challenging. In the present work the ¹³C, ¹⁵N-enriched GB1 model protein was used to demonstrate applicability of high-resolution magic-angle-spinning (HR-MAS) NMR spectroscopy to investigate ionic liquid-protein interactions. Effect of an ionic liquid (1-butyl-3-methylimidazolium bromide, [C₄-mim]Br) on GB1was studied over a wide range of the ionic liquid concentrations (0.6-3.5 M, which corresponds to 10-60% v/v). Interactions between GB1 and [C₄-mim]Br were observed from changes in the chemical shifts of the protein backbone as well as the changes in ¹⁵N ps-ns dynamics and rotational correlation times. Site-specific interactions between the protein and [C₄-mim]Br were assigned using 3D methods under HR-MAS conditions. Furthermore, HR-MAS NMR is a viable tool that could aid in elucidation of molecular mechanisms of ionic liquid-protein interactions.

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Research Organization:: National Renewable Energy Laboratory (NREL), Golden, CO (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Biological and Environmental Research (BER); USDOE

Grant/Contract Number:: AC36-08GO28308

OSTI ID:: 1305434

Alternate ID(s):: OSTI ID: 1373678

Report Number(s):: NREL/JA-5100-68988

Journal Information:: Biochemistry and Biophysics Reports, Vol. 8, Issue C; ISSN 2405-5808

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
imidazolium ionic liquid
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Title: The effects of high concentrations of ionic liquid on GB1 protein structure and dynamics probed by high-resolution magic-angle-spinning NMR spectroscopy

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