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Pseudocontact Shifts in Biomolecular NMR Spectroscopy

Müntener, Thomas and Joss, Daniel and Häussinger, Daniel and Hiller, Sebastian. (2022) Pseudocontact Shifts in Biomolecular NMR Spectroscopy. Chemical Reviews. in press.

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Official URL: https://edoc.unibas.ch/86786/

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Abstract

Paramagnetic centers in biomolecules, such as specific metal ions that are bound to a protein, affect the nuclei in their surrounding in various ways. One of these effects is the pseudocontact shift (PCS), which leads to strong chemical shift perturbations of nuclear spins, with a remarkably long range of 50 Å and beyond. The PCS in solution NMR is an effect originating from the anisotropic part of the dipole-dipole interaction between the magnetic momentum of unpaired electrons and nuclear spins. The PCS contains spatial information that can be exploited in multiple ways to characterize structure, function, and dynamics of biomacromolecules. It can be used to refine structures, magnify effects of dynamics, help resonance assignments, allows for an intermolecular positioning system, and gives structural information in sensitivity-limited situations where all other methods fail. Here, we review applications of the PCS in biomolecular solution NMR spectroscopy, starting from early works on natural metalloproteins, following the development of non-natural tags to chelate and attach lanthanoid ions to any biomolecular target to advanced applications on large biomolecular complexes and inside living cells. We thus hope to not only highlight past applications but also shed light on the tremendous potential the PCS has in structural biology.
Faculties and Departments:05 Faculty of Science > Departement Biozentrum > Structural Biology & Biophysics > Structural Biology (Hiller)
UniBasel Contributors:Hiller, Sebastian
Item Type:Article, refereed
Article Subtype:Research Article
Publisher:American Chemical Society
ISSN:0009-2665
e-ISSN:1520-6890
Note:Publication type according to Uni Basel Research Database: Journal article
Identification Number:
Last Modified:03 Mar 2022 15:34
Deposited On:03 Mar 2022 15:34

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