Supporting data for characterization of the busulfan metabolite EdAG and the Glutaredoxins that it adducts

This article describes data related to a research article titled “The Busulfan Metabolite EdAG Irreversibly Glutathionylates Glutaredoxins” [1]. EdAG is an electrophilic GSH analog formed in vivo from busulfan, which is used in hematopoietic stem cell transplants. EdAG glutathionylates Glutaredoxins (Grx's) but not glutathione transferase A1-1 (GSTA1-1) in vitro. This article includes a complete NMR characterization of synthetic EdAG including homonuclear and heteronuclear correlation spectra. Also included are mass spectra of peptides from Grx's or GSTA1-1 that have cys residues that do not react with EdAG.