Dynamic Exchange of the Metal Chelating Moiety: A Key Factor in Determining the Rigidity of Protein–Tag Conjugates in Paramagnetic NMR

JL Chen, B Li, XY Li, XC Su - The Journal of Physical Chemistry …, 2020 - ACS Publications
Site-specific labeling of proteins with a paramagnetic tag is an efficient way to provide
atomic-resolution information about the dynamics, interactions, and structures of the proteins …

Structure determination of protein–protein complexes with long-range anisotropic paramagnetic NMR restraints

MAS Hass, M Ubbink - Current opinion in structural biology, 2014 - Elsevier
Highlights•Anisotropic paramagnetic effects include PseudoContact Shifts and RDC.•PCS
provide long-range restraints for structure determination.•Practical aspects of PCS structure …

Stable and rigid DTPA-like paramagnetic tags suitable for in vitro and in situ protein NMR analysis

JL Chen, Y Zhao, YJ Gong, BB Pan, X Wang… - Journal of Biomolecular …, 2018 - Springer
Organic synthesis of a ligand with high binding affinities for paramagnetic lanthanide ions is
an effective way of generating paramagnetic effects on proteins. These paramagnetic effects …

Rigid, Highly Reactive and Stable DOTA‐like Tags Containing a Thiol‐Specific Phenylsulfonyl Pyridine Moiety for Protein Modification and NMR Analysis

B Ma, JL Chen, CY Cui, F Yang… - … –A European Journal, 2021 - Wiley Online Library
Site specific installation of a paramagnetic ion with magnetic anisotropy in a biomolecule
generates valuable structural restraints, such as pseudocontact shifts (PCSs) and residual …

How reliable are pseudocontact shifts induced in proteins and ligands by mobile paramagnetic metal tags? A modelling study

D Shishmarev, G Otting - Journal of biomolecular NMR, 2013 - Springer
The anisotropic component of the magnetic susceptibility tensor (Δχ tensor) associated with
various paramagnetic metal ions can induce pseudocontact shifts (PCSs) and residual …

Bioconjugation of proteins with a paramagnetic NMR and fluorescent tag

F Huang, YY Pei, HH Zuo, JL Chen… - … –A European Journal, 2013 - Wiley Online Library
Site‐specific labeling of proteins with lanthanide ions offers great opportunities for
investigating the structure, function, and dynamics of proteins by virtue of the unique …

[PDF][PDF] Generation of pseudocontact shifts in protein NMR spectra with a genetically encoded cobalt (II)‐binding amino acid

THD Nguyen, K Ozawa, M Stanton‐Cook… - Angewandte …, 2011 - academia.edu
There is increasing interest in the paramagnetic labeling of proteins for structural studies by
NMR spectroscopy. The resulting paramagnetic effects, particularly pseudocontact shifts …

Protein docking using an ensemble of spin labels optimized by intra-molecular paramagnetic relaxation enhancement

J Schilder, WM Liu, P Kumar, M Overhand… - Physical Chemistry …, 2016 - pubs.rsc.org
Paramagnetic NMR is a useful technique to study proteins and protein complexes and the
use of paramagnetic relaxation enhancement (PRE) for this purpose has become wide …

Strategies for measurements of pseudocontact shifts in protein NMR spectroscopy

M John, G Otting - ChemPhysChem, 2007 - Wiley Online Library
Paramagnetic metal ions bound to proteins generate a dipolar field that can be accurately
probed by pseudocontact shifts (PCS) displayed by the protein's nuclear spins. PCS are …

[HTML][HTML] Localising nuclear spins by pseudocontact shifts from a single tagging site

HW Orton, EH Abdelkader, L Topping… - Magnetic …, 2022 - mr.copernicus.org
Ligating a protein at a specific site with a tag molecule containing a paramagnetic metal ion
provides a versatile way of generating pseudocontact shifts (PCSs) in nuclear magnetic …