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[Preprint]. 2023 Jul 13:2023.07.13.548854. [Version 1] doi: 10.1101/2023.07.13.548854

Figure 2.

Figure 2.

Prostaglandins as candidate ligands for the SRC1 PAS-B domain. (a) Expanded plots of 15N-SRC1 PAS-B 1H-15N HSQC spectra recorded in the absence (blue) and presence of 10 equivalents of PGB1 (magenta); the molecular structure of the compound is shown at the bottom. The top 5% of the perturbed peaks are annotated. (b) CSPs in the (b) 15N-PAS-B and (c) 15N-PAS-B-Nurr1 AF128−51 fusion protein spectra induced by PGB1 at 1:10 protein:ligand ratio mapped on to the PAS-B solution structure (PDB ID: 5NWM) and the AlphaFold model of the PAS-B-AF128−51 complex, respectively. Prolines and line-broadened residues for which CSPs could not be measured are colored in tan. The most strongly perturbed residues are labeled. (d) Expanded plots of 15N-SRC1 PAS-B-Nurr1 AF128−51 fusion HSQC spectra recorded in the absence (blue) and following overnight incubation at 4 °C with 2 equivalents of 15d-PGJ2 (magenta); the molecular structure of the compound is shown at the bottom. The solution conditions were identical to those described in Figures 1c, 2b and 2c, except the samples lacked DTT. (e) CSPs from the spectrum in panel d mapped on to the AlphaFold model of the PAS-B-AF128−51 complex. Front and back views of the domain are shown. Prolines and line-broadened residues for which CSPs could not be measured are colored in tan. The most strongly perturbed residues are labeled.