NMR supersequences with real-time homonuclear broadband decoupling: Sequential acquisition of protein and small molecule spectra in a single experiment.

Abstract

NOAH (NMR byOrderedAcquisition using 1H-detection) type of pure shift NMR pulse scheme has been designed for the efficient utilization of magnetization that presents in a spin-system under consideration. The proposed strategy, PROSMASH-HSQC2 (PROtein-HSQC and SMAll molecule-HSQC Signals with Homodecoupling) uses the real-time BIRD pure shift NMR strategy and two HSQC spectra (13C-HSQC for small molecules and 15N-HSQC for 15N-isotopic labelled proteins) can be recorded in a single NMR experiment. Thus, this method permits precise determination of drug-protein interactions at atomic levels by monitoring the chemical shift perturbations, and will have potential applications in drug discovery programs.