Calculated Binding Energies of EF Hands
| Without explicit water (kcal/mol) | With explicit water (kcal/mol) | |
|---|---|---|
| CaM EF3 | −4.9 | −5.5 |
| TnC EF2 | −19.0 | −26.0 |
| hBest1 | −6.0 | −7.6 |
| hBest1 D312G | +6.6 | −2.4 |
| TnC EF1 | +37.2 | +15.0 |
| Without explicit water | With explicit water | |
|---|---|---|
| CaM EF3 | −4.9 | −5.5 |
| TnC EF2 | −19.0 | −26.0 |
| hBest1 | −6.0 | −7.6 |
| hBest1 D312G | +6.6 | −2.4 |
| TnC EF1 | +37.2 | +15.0 |
Binding energies were calculated for EF hands from CaM and TnC, proteins with solved x-ray structures, and compared to the homology-modeled hBest1 and mutant hBest1 EF hands. Calculations were performed using implicit Poisson-Boltzmann hydration with and without an added explicit water ligand for bound Ca2+ as described in Materials and methods. EF1 or TnC is known not to bind Ca.
Sharing content requires targeting cookies to be enabled. Please update your cookie preferences to use this feature.