Terahertz underdamped vibrational motion governs protein-ligand binding in solution

Turton, D. A., Senn, H., Harwood, T., Lapthorn, A. J., Ellis, E. M. and Wynne, K. (2014) Terahertz underdamped vibrational motion governs protein-ligand binding in solution. Nature Communications, 5, p. 3999. (doi:10.1038/ncomms4999)

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Publisher's URL: http://dx.doi.org/10.1038/ncomms4999

Abstract

Low-frequency collective vibrational modes in proteins have been proposed as being responsible for efficiently directing biochemical reactions and biological energy transport. However, evidence of the existence of delocalized vibrational modes is scarce and proof of their involvement in biological function absent. Here we apply extremely sensitive femtosecond optical Kerr-effect spectroscopy to study the depolarized Raman spectra of lysozyme and its complex with the inhibitor triacetylchitotriose in solution. Underdamped delocalized vibrational modes in the terahertz frequency domain are identified and shown to blue-shift and strengthen upon inhibitor binding. This demonstrates that the ligand-binding coordinate in proteins is underdamped and not simply solvent-controlled as previously assumed. The presence of such underdamped delocalized modes in proteins may have significant implications for the understanding of the efficiency of ligand binding and protein–molecule interactions, and has wider implications for biochemical reactivity and biological function.

Item Type:Articles
Status:Published
Refereed:Yes
Glasgow Author(s) Enlighten ID:Turton, Dr David and Lapthorn, Dr Adrian and Senn, Dr Hans and Wynne, Professor Klaas
Authors: Turton, D. A., Senn, H., Harwood, T., Lapthorn, A. J., Ellis, E. M., and Wynne, K.
College/School:College of Science and Engineering > School of Chemistry
Journal Name:Nature Communications
Publisher:Nature Publishing Group
ISSN:2041-1723
Copyright Holders:Copyright © 2014 Macmillan Publishers Limited
First Published:First published in Nature Communications 5:3999
Publisher Policy:Reproduced in accordance with the copyright policy of the publisher

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Project CodeAward NoProject NamePrincipal InvestigatorFunder's NameFunder RefLead Dept
559071Two-dimensional terahertz/IR spectroscopy: a unique probe of ultrafast hydrogen-bond dynamics of liquid water and model systems.Klaas WynneEngineering & Physical Sciences Research Council (EPSRC)EP/F06926X/1CHEM - CHEMISTRY
582891The structure and dynamics of water confined in nanoscale pools: the dynamic crossoverKlaas WynneEngineering & Physical Sciences Research Council (EPSRC)EP/J009733/1CHEM - CHEMISTRY
619561Solvation dynamics and structure around proteins and peptides: collective network motions vs. weak interactionsKlaas WynneEngineering & Physical Sciences Research Council (EPSRC)EO/K034995/1CHEM - CHEMISTRY