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. 2022 Jul 22;144(30):13815–13822. doi: 10.1021/jacs.2c04986

Table 3. Experimental Free Energy ΔG of Ligand Binding to LmrR Variants and Free Energy Difference ΔΔG of Dau Binding to LmrR Variants between at 10 and 25 °C.

  Dau (kJ/mol)
ΔΔG Dau (kJ/mol) RBF (kJ/mol)
LmrR protein ΔG10 °C ΔG25 °C ΔG10 °C – ΔG25 °C ΔG25 °C
5MeW –37.8 –36.7 –1.1 –36.6
W –35.2 –36.2 0.9 –36.2
5FW –35.5 –36.4 0.9 –34.3
5,6diFW –33.9 –34.1 0.2 –30.2
5,6,7triFW –33.7 –33.3 –0.4 –29.0
4,5,6,7tetraFW –31.3 –31.6 0.3 –25.7