SEMPRE: spectral editing mediated by paramagnetic relaxation enhancement

Journal of the American Chemical Society
Ruth KellnerStephan Schwarzinger

Abstract

Paramagnetic relaxation enhancement (PRE) has become a useful and widely applied tool in biomolecular NMR spectroscopy. In particular investigations of large complexes or transient contacts benefit from PRE effects. Frequently such studies involve modification of the biomacromolecules under study. We here present a method for editing NMR spectra by utilizing a soluble gadolinium complex that broadens nuclear spins being at or close to the macromolecule-solvent interface. NOE signals in NOESY spectra are selectively attenuated if surface exposed nuclear spins are involved. HSQC-type spectra with paramagnetic agent contain only signals of the interior of the protein, while the corresponding difference spectra harbor signals allocated to surface spins. Thus, the number of signals can be reduced helping to minimize spectral overlap in large proteins. The method reveals additional information about the localization of spins being helpful for structure determination of large complexes.

References

Jan 17, 2002·Journal of the American Chemical Society·Guido Pintacuda, Gottfried Otting
Jul 26, 2005·Journal of Biomolecular NMR·Sebastian HillerKurt Wüthrich
Aug 12, 2005·Chembiochem : a European Journal of Chemical Biology·Ivano BertiniRoberta Pierattelli
Jul 20, 2006·Journal of the American Chemical Society·Andrea BerniniNeri Niccolai
Mar 21, 2007·Accounts of Chemical Research·Guido PintacudaGottfried Otting
Apr 3, 2007·Journal of the American Chemical Society·Michal RespondekKlaus Zangger
Jul 5, 2007·Journal of the American Chemical Society·Peter H J KeizersMarcellus Ubbink

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Citations

Jan 3, 2012·Journal of Biomolecular Structure & Dynamics·Maximilian J HartlStephan Schwarzinger
Jul 10, 2013·Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry·Henry G HockingTobias Madl
Dec 9, 2014·Analytical Chemistry·Juan CorreaEduardo Fernandez-Megia
Mar 12, 2018·ACS Omega·Luiz F PintoEduardo Fernandez-Megia
Jan 28, 2022·Chemical Reviews·Qing MiaoMarcellus Ubbink

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