Table 2.
Thermodynamic parameters of wild-type and swap mutant EphA2:SHIP2 SAM:SAM complexes measured by ITC.
| EphA2 | SHIP2 | Kd (μM) | ΔH (kcal/mol) | TΔS (kcal/mol) | ΔG (kcal/mol) | HADDOCK cluster |
|---|---|---|---|---|---|---|
| WT | WT | 5.2 ± 1.2 | −2.5 | 4.7 | −7.2 | |
| K917D | WT | 9.1 ± 5.7 | −0.85 | 5.9 | −6.8 | |
| K956D | WT | > 50 | −0.3 | 5.4 | −5.7 | |
| K956E | WT | > 50 | −0.3 | 5.5 | −5.8 | |
|
| ||||||
| K917D | D1224K | 10.0 ± 2.0 | −2.5 | 4.3 | −6.8 | 1 |
| K917E | E1226K | 15.4 ± 1.9 | −2.0 | 4.6 | −7.6 | 1 |
| K956D | D1235K | 7.0 ± 3.0 | −0.8 | 6.2 | −7.0 | 1 and 2 |
| K956E | E1238K | Non-binding | - | - | - | 2 and 3 |
| K917D | D1230K | Non-binding | - | - | - | 3 |
Kd: dissociation constant, ΔH: enthalpy of binding, ΔS: entropy of binding, ΔG: Gibbs free energy of binding