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

Table 1.

Chemical Shift Perturbation Statistics for Prostaglandins*

Protein Ligand Mean CSP ± Standard Deviation for All Peaks (ppm) Mean CSP ± Standard Deviation for Top 5% of Most Perturbed Peaks (ppm)

SRC1 PAS-B PGB1 0.052 ± 0.055 0.229 ± 0.023
PGE2 0.031 ± 0.031 0.129 ± 0.016
PGA1 0.036 ± 0.046 0.198 ± 0.029
PGE1 0.032 ± 0.033 0.134 ± 0.021

SRC1 PAS-BNurr1 AF128–51 fusion PGB1 0.026 ± 0.026 0.114 ± 0.036
PGE2 0.009 ± 0.007 0.031 ± 0.007
PGA1 0.014 ± 0.019 0.083 ± 0.027
8-iso PGE1 0.013 ± 0.010 0.041 ± 0.019
PGD1 0.008 ± 0.004 0.019 ± 0.002
15d-PGJ2 0.038 ± 0.064** 0.270 ± 0.076**
*:

values are for 1:10 protein:ligand ratio and 0.2 mM protein concentration

**:

values are for 1:2 protein:ligand ratio after overnight incubation at 4 °C with 0.2 mM protein