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Specific protein-labeling and ligand-binding position analysis with amidopyrene probes as LDI MS tags

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Abstract

To readily analyze the binding mode of protein–ligand interactions, we developed ligand-bound-type and ligand-dissociation-type probes having 6-amidopyrene (apy) as a detecting group. Matrix- and label-assisted laser desorption/ionization mass spectrometry (MALDI and LA-LDI MS) analyses and a covalent docking simulation using these probes precisely determined the binding position of the ligand biotin on the target protein avidin (RMSD = 0.786 and 0.332 Å). Our apy-probe-labeling method may be useful for determining the unknown ligand-binding sites of various target proteins.

Graphical abstract: Specific protein-labeling and ligand-binding position analysis with amidopyrene probes as LDI MS tags

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Publication details

The article was received on 08 Sep 2018, accepted on 04 Oct 2018 and first published on 04 Oct 2018


Article type: Paper
DOI: 10.1039/C8OB02222D
Citation: Org. Biomol. Chem., 2018, Advance Article
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    Specific protein-labeling and ligand-binding position analysis with amidopyrene probes as LDI MS tags

    R. Watanabe, Y. Hu, K. Iio, K. Yoneda, A. Hattori, A. Arai, H. Kigoshi and M. Kita, Org. Biomol. Chem., 2018, Advance Article , DOI: 10.1039/C8OB02222D

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