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The measurement of binding affinities by NMR chemical shift perturbation |
Aug 04, 2022 - 1:03 AM - by nmrlearner
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The measurement of binding affinities by NMR chemical shift perturbation
Abstract
We have carried out chemical shift perturbation titrations on three contrasting proteins. The resulting chemical shifts have been analysed to determine the best way to fit the data, and it is concluded that a simultaneous fitting of all raw shift data to a single dissociation constant is both the most accurate and the most precise method. It is shown that the optimal weighting of 15N chemical shifts to 1H chemical shifts is protein dependent, but is around the consensus value of 0.14. We show that chemical shift changes of individual residues can be fit to give residue-specific affinities. Residues with affinities significantly stronger than average are found in close contact with the ligand and are suggested to form a rigid contact surface, but only when the binding involves little conformational change. This observation may be of value in analysing binding and conformational change.
Source: Journal of Biomolecular NMR
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0 Replies | 27 Views
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[ASAP] Unraveling the Capacitive Charge Storage Mechanism of Nitrogen-Doped Porous Carbons by EQCM and ssNMR |
Aug 04, 2022 - 1:03 AM - by nmrlearner
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[ASAP] Unraveling the Capacitive Charge Storage Mechanism of Nitrogen-Doped Porous Carbons by EQCM and ssNMR
En Zhang, Yih-Chyng Wu, Hui Shao, Vytautas Klimavicius, Hanyue Zhang, Pierre-Louis Taberna, Julia Grothe, Gerd Buntkowsky, Fei Xu, Patrice Simon, and Stefan Kaskel

Journal of the American Chemical Society
DOI: 10.1021/jacs.2c04841
Source: Journal of the American Chemical Society
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0 Replies | 24 Views
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