Specific protein-labeling and ligand-binding position analysis with amidopyrene probes as LDI MS tagsElectronic supplementary information (ESI) available. See DOI: 10.1039/c8ob02222d

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 covale...

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Bibliographic Details
Main Authors: Watanabe, Rei, Hu, Yaping, Iio, Keita, Yoneda, Kozo, Hattori, Atsunori, Arai, Atsushi, Kigoshi, Hideo, Kita, Masaki
Format: Article
Language:English
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Summary: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. Ligand-dissociation type amidopyrene probes, being useful for LDI MS, were developed for specific protein-labeling and ligand-binding position analysis.
ISSN:1477-0520
1477-0539
DOI:10.1039/c8ob02222d