Table 1. The average changes in van der Waals () and electrostatic () interaction energies (kcal/mol) between MTx and the surroundings due to the binding of MTx to Kv1.1–Kv1.3 channels.
Channel | (kT) | ||
Kv1.1 | −51±11 | −416±55 | −12.0 |
Kv1.2 | −22±12 | −17±76 | −21.2 |
Kv1.3 | −43±12 | −265±67 | −10.9 |
Standard deviations are shown. ΔG bind is calculated as , where C0 is 1 M. The IC50 values are 6 µM, 0.6nM and 18 µM for Kv1.1, Kv1.2 and Kv1.3, respectively.