Table 5. Calculated and Experimental Midpoint Potentials, Calculated Free Energies of Reaction, and pK_^a's for Lumiflavin and Enzyme-Bound FADs of MCAD and CHOX at 298 K.

reaction	quantity	free-energy changes
		LF	MCAD–FAD	CHOX–FAD
F−• + H+ → FH•	ΔG○(aq) (kcal/mol)	−4	−8	−5
	pKa	3	6	4
	ΔG○(aq) (kcal/mol)	−97	−89	−87
F + e− + H+ → FH•	calcd Eox,sq (mV)	−74	−420	−507
	exptl Eox,sq (mV)		−155a	−222b
FH− + H+ → LFH2	ΔG○(aq) (kcal/mol)	+4	−23	−23
	pKa	−3	17	17
	ΔG○(aq) (kcal/mol)	−190	−196	−-192
F + 2e− + 2H+ → LFH2	calcd Em (mV)	−160	−30	−117
	exptl Em (mV)	−259c	−135a	−278b

^aFrom reference 108.

^bFrom reference 110.

^cFrom reference 106.