MassIVE MSV000084638

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Obtusaquinone is a cysteine modifying compound that targets Keap1 for degradation

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Description

Bovine catalase: This is an experiment to use differential cysteine alkylation to map the nature of binding of a cysteine-targeting small molecule OBT (for details of the method, please see the Method Section of the manuscript). The alkylating reagents uses besides the studied drug were iodoacetamide (IAA) and N-ethylmaleimide (NEM). As described in the manuscript the experiment includes three routes of serial alkylation experiments termed OBT, IAA, and NEM. Samples were prepared in triplicate and TMT10-plex reagents were used for labeling as follows: OBT replicate 1 (OBT1), 129c; OBT2, 130n; OBT3, 130c; IAA1, 126; IAA2, 127n; IAA3, 127c; NEM1, 128n; NEM2, 128c; NEM3, 129n. An SPS-MS3 method was used for data acquisition on an Orbitrap Fusion Lumos mass spectrometer. The RAW file for these data is catalase_diffAlk.RAW. A differential alkylation experiment was also performed as described above for bovine catalase but using recombinant human KEAP1 as substrate. One set of experiments (OBT, IAA, NEM) was performed. TMT10-plex labeling was performed as follows: OBT, 129n; IAA, 128c; NEM, 128n. An SPS-MS3 method was used for data acquisition on an Orbitrap Fusion mass spectrometer. The RAW file for these data is RAW_file: keap1_diffAlk.RAW. [doi:10.25345/C5TT20] [dataset license: CC0 1.0 Universal (CC0 1.0)]

Keywords: differential alkylation, characterization of thiol binding drug, TMT, Oritrap Fusion (Lumos), SPS-MS3

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Principal Investigators:
(in alphabetical order) 		Bakhos Tannous, Massachusetts General Hospital and Harvard Medical School, United States
Submitting User: whaas
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