[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 …

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 …

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 …

A protocol for the refinement of NMR structures using simultaneously pseudocontact shift restraints from multiple lanthanide ions

D Sala, A Giachetti, C Luchinat, A Rosato - Journal of biomolecular NMR, 2016 - Springer
The binding of paramagnetic metal ions to proteins produces a number of different effects on
the NMR spectra of the system. In particular, when the magnetic susceptibility of the metal …

Convenient method for resolving degeneracies due to symmetry of the magnetic susceptibility tensor and its application to pseudo contact shift-based protein–protein …

Y Kobashigawa, T Saio, M Ushio, M Sekiguchi… - Journal of biomolecular …, 2012 - Springer
Pseudo contact shifts (PCSs) induced by paramagnetic lanthanide ions fixed in a protein
frame provide long-range distance and angular information, and are valuable for the …

Structure restraints from heteronuclear pseudocontact shifts generated by lanthanide tags at two different sites

BJG Pearce, S Jabar, CT Loh, M Szabo… - Journal of Biomolecular …, 2017 - Springer
Pseudocontact shifts (PCS) encode long-range information on 3D structures of protein
backbones and side-chains. The level of structural detail that can be obtained increases with …

[HTML][HTML] Phosphoserine for the generation of lanthanide-binding sites on proteins for paramagnetic nuclear magnetic resonance spectroscopy

S Mekkattu Tharayil, MC Mahawaththa… - Magnetic …, 2021 - mr.copernicus.org
Pseudocontact shifts (PCSs) generated by paramagnetic lanthanide ions provide valuable
long-range structural information in nuclear magnetic resonance (NMR) spectroscopic …

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 …

Numbat: an interactive software tool for fitting Δχ-tensors to molecular coordinates using pseudocontact shifts

C Schmitz, MJ Stanton-Cook, XC Su, G Otting… - Journal of biomolecular …, 2008 - Springer
Pseudocontact shift (PCS) effects induced by a paramagnetic lanthanide bound to a protein
have become increasingly popular in NMR spectroscopy as they yield a complementary set …

Protein structure determination from pseudocontact shifts using ROSETTA

C Schmitz, R Vernon, G Otting, D Baker… - Journal of molecular …, 2012 - Elsevier
Paramagnetic metal ions generate pseudocontact shifts (PCSs) in nuclear magnetic
resonance spectra that are manifested as easily measurable changes in chemical shifts …