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Comparison of estimated binding free energies (kcal/mol) between different divalent metal ions and guanine/6-thioguanine in both neutral and deprotonated forms. Numbers in the first column are converted from experimental binding affinities(61, 70). In each row, the numbers are normalized according to the corresponding experimental values in the first column.
| Metal | Guanine | Guanine− | 6-thioguanine | 6-thioguanine− |
|---|---|---|---|---|
| Mg2+ | −0.3 | −11.7 | 6.4 | 5.0 |
| Mn2+ | −0.6 | −12.4 | 0.7 | −0.7 |
| Cd2+ | −2.0 | −10.8 | −3.2 | −4.5 |
