Residue-specific NH exchange rates studied by NMR diffusion experiments.

Residue-specific NH exchange rates studied by NMR diffusion experiments. Research Abstract Details 

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Residue-specific NH exchange rates studied by NMR diffusion experiments. Abstract Text:

Torsten Brand,Eurico J Cabrita,Gareth A Morris,Robert , Hofmann,Stefan Berger,

We present a novel approach to the investigation of rapid (>2s(-1)) NH exchange rates in proteins, based on residue-specific diffusion measurements. (1)H, (15)N-DOSY-HSQC spectra are recorded in order to observe resolved amide proton signals for most residues of the protein. Human ubiquitin was used to demonstrate the proposed method. Exchange rates are derived directly from the decay data of the diffusion experiment by applying a model deduced from the assumption of a two-site exchange with water and the "pure" diffusion coefficients of water and protein. The "pure" diffusion coefficient of the protein is determined in an experiment with selective excitation of the amide protons in order to suppress the influence of magnetization transfer from water to amide protons on the decay data. For rapidly exchanging residues a comparison of our results with the exchange rates obtained in a MEXICO experiment showed good agreement. Molecular dynamics (MD) and quantum mechanical calculations were performed to find molecular parameters correlating with the exchangeability of the NH protons. The RMS fluctuations of the amide protons, obtained from the MD simulations, together with the NH coupling constants provide a bilinear model which shows a good correlation with the experimental NH exchange rates.

Residue-specific NH exchange rates studied by NMR diffusion experiments. Publishing Authors By Initials

T Brand,EJ Cabrita,GA Morris,R ,HJ Hofmann,S Berger,

For similar proteins: ubiquitins: ubiquitin research abstracts see: proteins: ubiquitins: ubiquitin research

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Residue-specific NH exchange rates studied by NMR diffusion experiments. Journal Published:

PUBLICATION TYPE: Research Support, Non-U.S. Gov

Journal: Journal of magnetic resonance (San Diego, Calif. :

VOLUME: 187

Page Numbers: 97-104

Journal Abbreviation: J. Magn. Reson.

ISSN: 1090-7807

DAY: 13

MONTH: 04

YEAR: 2007

Residue-specific NH exchange rates studied by NMR diffusion experiments. Information

Number of References:

LANGUAGE: eng

NlmUniqueID: 9707935

Residue-specific NH exchange rates studied by NMR diffusion experiments. Keywords Mesh Terms:

KEYWORDS: Ubiquitin

MESH TERMS: chemistry

Chemical & Substance for Abstract: Residue-specific NH exchange rates studied by NMR diffusion experiments. Information

Substance Name: Ubiquitin

Registry Number: 0

Grant and Affiliation Information for Residue-specific NH exchange rates studied by NMR diffusion experiments.

AFFILIATION: Institute of Analytical Chemistry, University of Leipzig, Linnéstrasse 3, Leipzig 04103, Germany.

Country: United States

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MEDLINETA: J Magn Reson

REFSOURCE: J Magn Reson. 2007 Oct;188(2):387

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