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. 2013 Oct 24;110(46):18680–18685. doi: 10.1073/pnas.1317706110

Table 1.

Free energy difference between BmorPBPA and BmorPBPB as a function of pH for different BmorPBP–ligand complexes

Ligand ΔGAB(pH = 0)* d(ΔGAB)/d(pH) n
None§ −11.1 ± 0.2 1.5 ± 0.1 1.1 ± 0.1
Hexadecan-1-al −30.2 ± 2.8 5.3 ± 0.5 4.0 ± 0.4
Hexadecan-1-ol −28.7 ± 1.1 5.0 ± 0.2 3.7 ± 0.2
Bombykol −18.9 ± 0.7 3.6 ± 0.1 2.7 ± 0.1
*

ΔGAB(pH = 0) is the free energy difference between BmorPBPA and BmorPBPB extrapolated to pH = 0 in kilocalories per mole.

d(ΔGAB)/d(pH) is the slope obtained from least squares fits of ΔG vs. pH in kilocalories per mole. Least squares r2 values ranged from 0.96 to 0.99.

n is the number of titrating groups participating in the conformational transition.

§

Delipidated BmorPBP solution.