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J Magn Reson. 2002 Aug;157(2):178-80.

Hydrogen bonds in human ubiquitin reflected in temperature coefficients of amide protons.

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Laboratory of Protein Engineering, Institute of Biochemistry and Molecular Biology, University of Wrocław, Tamka 2, 50-137 Wrocław, Poland.


Analysis of amide proton temperature coefficients (deltasigma(HN)/DeltaT) in human ubiquitin shows their usefulness in indicating hydrogen bonds. The availability of a very accurate solution structure of ubiquitin enables the precise determination of hydrogen bonds and increases the reliability of the analysis of chemical shift temperature gradients. Values of deltasigma(HN)/DeltaT more positive than -4.6 ppb/K are very good indicators of hydrogen bonds. Additionally, a weak temperature dependence of non-hydrogen-bonded amides was observed for amide protons that are significantly shifted upfield. We observed that temperature gradients of amide protons involved in short hydrogen bonds are related to donor-acceptor distances.

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