[NMR paper] Ion influence on surface water dynamics and proton exchange at protein surfaces - A unified model for transverse and longitudinal NMR relaxation dispersion
Ion influence on surface water dynamics and proton exchange at protein surfaces - A unified model for transverse and longitudinal NMR relaxation dispersion
In all biologically relevant media, proteins interact in the presence of surrounding ions, and such interactions are water-mediated. Water molecules play a crucial role in the restructuring of proteins in solution and indeed in their biological activity. Surface water dynamics and proton exchange at protein surfaces is investigated here using NMR relaxometry, for two well-known globular proteins, lysozyme and bovine serum albumin, with particular attention to the role of surface ions. We present...
[NMR paper] Connecting Longitudinal and Transverse Relaxation Rates in Live-Cell NMR.
Connecting Longitudinal and Transverse Relaxation Rates in Live-Cell NMR.
Related Articles Connecting Longitudinal and Transverse Relaxation Rates in Live-Cell NMR.
J Phys Chem B. 2020 Nov 12;:
Authors: Leeb S, Yang F, Oliveberg M, Danielsson J
Abstract
In the cytosolic environment, protein crowding and Brownian motions result in numerous transient encounters. Each such encounter event increases the apparent size of the interacting molecules, leading to slower rotational tumbling. The extent of transient protein complexes formed...
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11-13-2020 04:07 PM
[NMR paper] Ordering effect of protein surfaces on water dynamics: NMR relaxation study.
Ordering effect of protein surfaces on water dynamics: NMR relaxation study.
Ordering effect of protein surfaces on water dynamics: NMR relaxation study.
Biophys Chem. 2019 Apr 08;249:106149
Authors: Bonechi C, Tamasi G, Pardini A, Donati A, Volpi V, Leone G, Consumi M, Magnani A, Rossi C
Abstract
Proteins in solution affect the structural and dynamic properties of the bulk water at the protein-water interface, resulting in a contribution to the order of the hydration water. Theoretical and experimental NMR relaxation methods...
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04-14-2019 10:41 AM
15 N transverse relaxation measurements for the characterization of µsâ??ms dynamics are deteriorated by the deuterium isotope effect on 15 N resulting from solvent exchange
15 N transverse relaxation measurements for the characterization of µsâ??ms dynamics are deteriorated by the deuterium isotope effect on 15 N resulting from solvent exchange
Abstract
15N R2 relaxation measurements are key for the elucidation of the dynamics of both folded and intrinsically disordered proteins (IDPs). Here we show, on the example of the intrinsically disordered protein α-synuclein and the folded domain PDZ2, that at physiological pH and near physiological temperatures amideâ??water exchange can severely skew Hahn-echo based 15N R2...
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11-25-2018 06:02 AM
[NMR paper] Ligand Proton Pseudocontact Shifts Determined from Paramagnetic Relaxation Dispersion in the Limit of NMR Intermediate Exchange.
Ligand Proton Pseudocontact Shifts Determined from Paramagnetic Relaxation Dispersion in the Limit of NMR Intermediate Exchange.
Ligand Proton Pseudocontact Shifts Determined from Paramagnetic Relaxation Dispersion in the Limit of NMR Intermediate Exchange.
J Phys Chem Lett. 2018 Jun 04;:
Authors: Xu D, Li B, Gao J, Liu Z, Niu X, Nshogoza G, Zhang J, Wu J, Su XC, He W, Ma R, Yang D, Ruan K
Abstract
Delineation of protein-ligand interaction modes is key for rational drug discovery. The availability of complex crystal structures...
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06-05-2018 01:31 PM
Assessment of chemical exchange in tryptophanâ??albumin solution through 19 F multicomponent transverse relaxation dispersion analysis
Assessment of chemical exchange in tryptophanâ??albumin solution through 19 F multicomponent transverse relaxation dispersion analysis
Abstract
A number of NMR methods possess the capability of probing chemical exchange dynamics in solution. However, certain drawbacks limit the applications of these NMR approaches, particularly, to a complex system. Here, we propose a procedure that integrates the regularized nonnegative least squares (NNLS) analysis of multiexponential T2 relaxation into Carrâ??Purcellâ??Meiboomâ??Gill (CPMG) relaxation dispersion...
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04-22-2015 12:40 AM
[NMR paper] Heteronuclear Transverse and Longitudinal Relaxation in AX4 Spin Systems: Application to 15N Relaxations in 15NH4+
Heteronuclear Transverse and Longitudinal Relaxation in AX4 Spin Systems: Application to 15N Relaxations in 15NH4+
Publication date: Available online 28 June 2014
Source:Journal of Magnetic Resonance</br>
Author(s): Nicolas D. Werbeck , D. Flemming Hansen</br>
The equations that describe the time-evolution of transverse and longitudinal 15N magnetisations in tetrahedral ammonium ions, 15NH4 +, are derived from the Bloch-Wangsness-Redfield density operator relaxation theory. It is assumed that the relaxation of the spin-states is dominated by (1) the intra-molecular...
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06-29-2014 02:00 AM
13C relaxation experiments for aromatic side chains employing longitudinal- and transverse-relaxation optimized NMR spectroscopy
13C relaxation experiments for aromatic side chains employing longitudinal- and transverse-relaxation optimized NMR spectroscopy
Abstract Aromatic side chains are prevalent in protein binding sites, perform functional roles in enzymatic catalysis, and form an integral part of the hydrophobic core of proteins. Thus, it is of great interest to probe the conformational dynamics of aromatic side chains and its response to biologically relevant events. Indeed, measurements of 13C relaxation rates in aromatic moieties have a long history in biomolecular NMR, primarily in the context of...
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07-05-2012 04:13 AM
Water-Proton-Spin-Lattice-Relaxation Dispersion of Paramagnetic Protein Solutions
Water-Proton-Spin-Lattice-Relaxation Dispersion of Paramagnetic Protein Solutions
Publication year: 2010
Source: Journal of Magnetic Resonance, In Press, Accepted Manuscript, Available online 10 November 2010</br>
Galina, Diakova , Yanina, Goddard , Jean-Pierre, Korb , Robert G., Bryant</br>
The paramagnetic contributions to water proton spin-lattice relaxation rate constants in protein systems spin-labeled with nitroxide radicals were re-examined. As noted by others, the strength of the dipolar coupling between water protons and the protein-bound nitroxide radical often appears to...
Ion influence on surface water dynamics and proton exchange at protein surfaces - A unified model for transverse and longitudinal NMR relaxation dispersion
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