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

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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Veröffentlicht in:Organic & biomolecular chemistry 2018-10, Vol.16 (42), p.7883-7890
Hauptverfasser: Watanabe, Rei, Hu, Yaping, Iio, Keita, Yoneda, Kozo, Hattori, Atsunori, Arai, Atsushi, Kigoshi, Hideo, Kita, Masaki
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container_end_page 7890
container_issue 42
container_start_page 7883
container_title Organic & biomolecular chemistry
container_volume 16
creator Watanabe, Rei
Hu, Yaping
Iio, Keita
Yoneda, Kozo
Hattori, Atsunori
Arai, Atsushi
Kigoshi, Hideo
Kita, Masaki
description 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.
doi_str_mv 10.1039/c8ob02222d
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source Royal Society Of Chemistry Journals; Alma/SFX Local Collection
subjects Avidin
Binding sites
Biotin
Docking
Ionization
Labeling
Ligands
Mass spectrometry
Mass spectroscopy
Probes
Proteins
title Specific protein-labeling and ligand-binding position analysis with amidopyrene probes as LDI MS tags
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