Specificity and reactivity of bromoacrylaldehyde spin labels.

Gendreizig, D, Elsner, C, Kucher, S, Jeschke, G, Fielding, AJ ORCID: 0000-0002-4437-9791 and Bordignon, E (2025) Specificity and reactivity of bromoacrylaldehyde spin labels. Journal of Magnetic Resonance, 380. ISSN 1090-7807

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Abstract

Electron paramagnetic resonance (EPR) spectroscopy in combination with site-directed spin labelling provides information on structure and dynamics of biomolecules. Increasing the availability of spin labels with different properties is an elegant way to foster a more accurate analysis of the EPR data in relation to the biological problem investigated. In this study, we present a comparative investigation of labelling efficiency, surface accessibility, site specificity and width of the distance distributions obtained on two proteins with the nitroxide-based bromoacrylaldehyde spin label (BASL) versus the two commercial spin labels MTSL (methanethiosulfonate spin label) and MAP (maleimido proxyl). Based on the predicted distances from a rotamer library approach and on the experimental distance distributions, BASL is shown to provide generally narrower distance distributions compared to the other nitroxide labels. The exquisite surface specificity of BASL with respect to MAP could be successfully exploited to selectively label surface cysteines in proteins containing a high number of native cysteines. In addition, the distinct site-reactivity of BASL and MAP towards two surface-exposed cysteines was leveraged for orthogonal labelling strategies with nitroxide and gadolinium labels.

Item Type:	Article
Uncontrolled Keywords:	40 Engineering; 4018 Nanotechnology; 02 Physical Sciences; 09 Engineering; Biophysics; 40 Engineering; 51 Physical sciences
Subjects:	R Medicine > RS Pharmacy and materia medica
Divisions:	Pharmacy and Biomolecular Sciences
Publisher:	Elsevier
Date of acceptance:	11 August 2025
Date of first compliant Open Access:	29 August 2025
Date Deposited:	29 Aug 2025 15:18
Last Modified:	29 Aug 2025 15:30
DOI or ID number:	10.1016/j.jmr.2025.107953
URI:	https://researchonline.ljmu.ac.uk/id/eprint/27059

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