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Detection of Chemical Exchange in Methyl Groups of Macromolecules

preprint
revised on 11.03.2019 and posted on 11.03.2019 by Michelle Gill, Andrew Hsu, Arthur G. Palmer, III

The zero- and double-quantum methyl TROSY Hahn-echo and the methyl 1H-1H dipole- dipole cross-correlation nuclear magnetic resonance experiments enable estimation of multiple quantum chemical exchange broadening in methyl groups in proteins. The two relaxation rate constants are established to be linearly dependent using molecular dynamics simulations and empirical analysis of experimental data. This relationship allows chemical exchange broadening to be recognized as an increase in the Hahn-echo relaxation rate constant. The approach is illustrated by analyzing relaxation data collected at three temperatures for E. coli ribonuclease HI and by analyzing relaxation data collected for different cofactor and substrate complexes of E. coli AlkB.

Funding

GM089047

GM008281

GM050291

History

Email Address of Submitting Author

michelle@michellelynngill.com

Institution

BenevolentAI

Country

United States

ORCID For Submitting Author

0000-0002-2861-355X

Declaration of Conflict of Interest

The authors declare no conflict of interest.

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in Journal of Biomolecular NMR

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