Table 1. Thermodynamics of Hydrolysis of Adenosine Triphosphate and Adenosine Triarsenate Obtained by Quantum Mechanical Calculation at the B3LYP/6-311++G** Level of Theorya.
reaction | ΔH(kcal/mol) | ΔG(kcal/mol) | experiment46(kcal/mol) | |
---|---|---|---|---|
1 | ATP + H2O → ADP + H2PO4– | –3.32 | –4.86 | –7.3 |
2 | ADP–As + H2O → ADP + H2AsO4– | –2.06 | –3.01 | |
3 | ATAs + H2O → ADAs + H2AsO4– | –1.85 | –2.23 | |
4 | ATP + H2O → AMP + H2P2O72- | –11.44 | –11.52 | –10.9 |
5 | ATAs + H2O → AMAs + H2As2O72- | –9.7 | –8.14 |
ATP: adenosine triphosphate. ADP: adenosine diphosphate. ADP–AS: adenosine diphosphate arsenate. ATAs: adenosine triarsenate. ADAs: adenosine diarsenate. AMP: adenosine monophosphate. AMAs, adenosine monoarsenate.