Table 3.

ΔG in kcal/mol for the cycle designed by Stubbs et al.

Step	Reaction	Quantum	Jankowski
1	OXA + GLX + H2O → maloylformate + H2CO3	−7.12	−15.39
2	maloylformate → fumaroylformate + H2O	+0.78	+3.73
3	fumaroylformate + H2 → AKG	−26.88	−22.33
4	AKG + GLX → isocitroylformate	+0.30	−2.56
5	isocitroylformate → aconitoylformate + H2O	−0.30	+0.27
6	aconitoylformate + 2 H2O → CAC + H2CO3 + H2	−5.96	−4.46
7	CAC → CIT	−3.80	−5.49
8	CIT → OXA + ACE	−2.49	+0.71
	Net Cycle:	−45.47	−45.12