Issue 29, 2022

The evolution of paramagnetic NMR as a tool in structural biology

Abstract

Paramagnetic NMR data contain extremely accurate long-range information on metalloprotein structures and, when used in the frame of integrative structural biology approaches, they allow for the retrieval of structural details to a resolution that is not achievable using other techniques. Paramagnetic data thus represent an extremely powerful tool to refine protein models in solution, especially when coupled to X-ray or cryoelectron microscopy data, to monitor the formation of complexes and determine the relative arrangements of their components, and to highlight the presence of conformational heterogeneity. More recently, theoretical and computational advancements in quantum chemical calculations of paramagnetic NMR observables are progressively opening new routes in structural biology, because they allow for the determination of the structure within the coordination sphere of the metal center, thus acting as a loupe on sites that are difficult to observe but very important for protein function.

Graphical abstract: The evolution of paramagnetic NMR as a tool in structural biology

Article information

Article type
Perspective
Submitted
21 Apr. 2022
Accepted
28 Jūn. 2022
First published
28 Jūn. 2022
This article is Open Access
Creative Commons BY license

Phys. Chem. Chem. Phys., 2022,24, 17397-17416

The evolution of paramagnetic NMR as a tool in structural biology

E. Ravera, L. Gigli, L. Fiorucci, C. Luchinat and G. Parigi, Phys. Chem. Chem. Phys., 2022, 24, 17397 DOI: 10.1039/D2CP01838A

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