Figure 3
From: Enabling STD-NMR fragment screening using stabilized native GPCR: A case study of adenosine receptor
STD-NMR binding of A2AR to antagonists and agonists. 1D and STD NMR spectra of the caffeine antagonist bound to A2AR (A). The 1D and STD NMR spectra are also shown in the absence (middle) of the A2A protein. NMR resonance of caffeine is indicated with a black dot and the aromatic compounds of the detergent buffer are labelled (det). The 1D and STD NMR spectra of caffeine are shown in the presence (bottom) of the ZM241385 compound. NMR resonances of the ZM241385 antagonist compound are labelled with the letters ZM. The STD binding signal of caffeine disappears in the presence of ZM241385. 1D and STD NMR spectra of the adenosine agonist bound to A2AR (B). The 1D and STD NMR spectra are also shown in the absence (middle) of the A2A protein. NMR resonances of adenosine are indicated with a star and the aromatic compounds of the detergent buffer are labelled (det). The 1D and STD NMR spectra of adenosine are shown in the presence of the CGS-21680 agonist compound. NMR resonances of the CGS-21680 compound are labelled with the letters CGS. The STD binding signal of adenosine is weaker in the presence of CGS-21680. The intensities of the STD signals of adenosine in the presence and absence of CGS-21680 are superimposed (bottom) to illustrate the change in the STD intensities, particularly for the ribose resonance at 5.9 ppm.
