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. Author manuscript; available in PMC: 2017 Apr 19.
Published in final edited form as: ChemMedChem. 2015 Nov 23;11(8):919–927. doi: 10.1002/cmdc.201500441

Figure 3. Comparative binding data of compounds 1 and 3.

Figure 3

Isothermal titration calorimetry data of binding to YopH-NT for A) compound 1 (Kd = 180 nM, ΔH = −16.5 Kcal/mole, −TΔS= 7.4 Kcal/mole, n = 0.87) and B) compound 3 (Kd = 180 nM, ΔH = −17.6 Kcal/mole, −TΔS= 8.43 Kcal/mole, n =0.96). C) Overlay of [1H,15N] HSQC spectra of YopH-NT (50 μM) in free form (red) and in presence of compound 1 (green, 150 μM). D) Overlay of [1H,15N] HSQC spectra of YopH-NT (50 μM) in free form (red) and in presence of compound 3 (blue, 150 μM). Both compounds produce very similar perturbations to YopH-NT suggesting a similar binding mode.