Combined experimental and computational study on the influence of labelling on protein dynamics

DOI

IR labels can be used to study local environments in proteins in a site-selective manner. Neutron scattering experiments complement Raman and IR spectroscopy by delivering information about delocalized vibrational modes that might be vital for enzyme activity. Combining these experimental methods opens up new possibilities to better understand how proteins work. We want to investigate for the first time how IR labelling influences global protein dynamics of T4 lysozyme by using neutron scattering spectroscopy. The IR label itself has a distinct vibrational mode around 2160 cm^-1 that is sensitive towards the local microenvironment around the label. Density of state calculations based on molecular dynamics simulations predict changes in the 2-10 THz region upon labelling indicating changes in global dynamics. The TOSCA spectrometer allows us to observe both energy ranges at the same time.

Identifier
DOI https://doi.org/10.5286/ISIS.E.98000901
Metadata Access https://icatisis.esc.rl.ac.uk/oaipmh/request?verb=GetRecord&metadataPrefix=oai_datacite&identifier=oai:icatisis.esc.rl.ac.uk:inv/98000901
Provenance
Creator Dr Tilo Seydel; Dr Arwen Pearson; Professor Nils Huse; Professor Henning Tidow; Dr Stephan Niebling; Dr Svemir Rudic; Mrs Stephanie Kesgin-Schaefer
Publisher ISIS Neutron and Muon Source
Publication Year 2021
Rights CC-BY Attribution 4.0 International; https://creativecommons.org/licenses/by/4.0/
OpenAccess true
Contact isisdata(at)stfc.ac.uk
Representation
Resource Type Dataset
Discipline Biology; Biomaterials; Engineering Sciences; Life Sciences; Materials Science; Materials Science and Engineering
Temporal Coverage Begin 2018-10-13T08:00:00Z
Temporal Coverage End 2018-10-15T08:00:00Z