Weak alignment of paramagnetic proteins warrants correction for residual CSA effects in measurements of pseudocontact shifts

Date

2005

Authors

John, Michael
Park, Ah Young
Pintacuda, Guido
Dixon, Nicholas
Otting, Gottfried

Journal Title

Journal ISSN

Volume Title

Publisher

American Chemical Society

Abstract

Paramagnetic metal ions can induce molecular alignment with respect to the magnetic field. This alignment generates residual anisotropic chemical shifts (RACS) due to nonisotropic averaging over the molecular orientations. Using a 30 kDa protein-protein complex, the RACS effects are shown to be significant for heteronuclear spins with large chemical shift anisotropies, lanthanide ions with large anisotropic magnetic susceptibility tensors, and measurements at high magnetic field. Therefore, RACS must be taken into account when pseudocontact shifts are measured by comparison of chemical shifts observed between complexes with paramagnetic and diamagnetic lanthanide ions. The results are of particular importance when different pseudocontact shifts measured for the1HN,15N, and13C′ spins of a peptide group are used to restrain its orientation with respect to the electronic magnetic susceptibility tensor in structure calculations.

Description

Keywords

Keywords: metal ion; metalloprotein; protein; anisotropy; article; calculation; carbon nuclear magnetic resonance; chemical shift anisotropy; density functional theory; magnetic field; magnetism; measurement; metal binding; nitrogen nuclear magnetic resonance; nucl

Citation

Source

Journal of the American Chemical Society

Type

Journal article

Book Title

Entity type

Access Statement

License Rights

Restricted until

2037-12-31
Back to topicon-arrow-up-solid
 
APRU
IARU
 
edX
Group of Eight Member

Acknowledgement of Country

The Australian National University acknowledges, celebrates and pays our respects to the Ngunnawal and Ngambri people of the Canberra region and to all First Nations Australians on whose traditional lands we meet and work, and whose cultures are among the oldest continuing cultures in human history.


Contact ANUCopyrightDisclaimerPrivacyFreedom of Information

+61 2 6125 5111 The Australian National University, Canberra

TEQSA Provider ID: PRV12002 (Australian University) CRICOS Provider Code: 00120C ABN: 52 234 063 906