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

Date

Authors

Shishmarev, Dmitry

Otting, Gottfried

Publisher

Kluwer Academic Publishers

Abstract

The anisotropic component of the magnetic susceptibility tensor (Δχ tensor) associated with various paramagnetic metal ions can induce pseudocontact shifts (PCSs) and residual dipolar couplings (RDCs) in proteins, yielding valuable restraints in structu

Keywords

Keywords: ligand; metal ion; protein; anisotropy; article; atom; electron spin resonance; magnetism; nitrogen nuclear magnetic resonance; priority journal; protein binding; proton nuclear magnetic resonance; simulation â^†? tensor; Magnetic susceptibility anisotropy; Metal tag; Paramagnetic NMR; Pseudocontact shifts; Residual dipolar couplings

URI

http://hdl.handle.net/1885/62090

Collections

ANU Research Publications

Source

Journal of Biomolecular NMR

Type

Journal article

DOI

10.1007/s10858-013-9738-6

Restricted until

2037-12-31

Downloads

File

Description

01_Shishmarev_How_reliable_are_pseudocontact_2013.pdf (768.68 KB)