. Author manuscript; available in PMC: 2021 Feb 5.

Published in final edited form as: J Am Chem Soc. 2020 Jan 24;142(5):2386–2395. doi: 10.1021/jacs.9b11699

Table 1.

IC₅₀ values of ligands and corresponding changes in free energy of binding compared to KO

	KO	KDO	Galf	Glycerol 1-phosphate	D,D- heptose	L,D-heptose
IC50 (mM)^a	0.7 (±0.3)	1.5 (±0.4)	1.8 (±0.1)	2.1 (±0.4)	6.8 (±2.3)	53 (±29)
ΔΔG(kcal/mol)^b
KO	-	-	-	-	-	-
KDO	0.4	-	-	-	-	-
Galf	0.6	0.1	-	-	-	-
glycerol
1-phosphate	0.7	0.2	0.1	-	-	-
D,D-heptose	1.3	0.9	0.8	0.7	-	-
L,D-heptose	2.4	2.0	2.0	1.9	1.2	-

Data is shown as mean (±standard deviation) of two independent experiments;

The relative free energy of binding is ΔΔG = 0.593 (kcal/mol) ln(IC_50,row/ IC_50,column).