Table 2. Binding free energy (in kcal/mol) of MCL-1 with wt and stapled BH3peptides.
Δ(binding) | BH3wt | BH3A | BH3B | BH3C | BH3D | BH3E | BH3F | BH3G | BH3H | BH3I | BH3J | BH3K |
ΔH | −67.4(5.3) | −66.8(6.2) | −62.5(8.3) | −52.9(5.2) | −63.2(4.7) | −68.1(4.6) | −64.6(4.9) | −68.2(5.4) | −68.7(4.7) | −71.7(5.9) | −70.3(4.5) | −72.7(4.7) |
−TΔS | 40.1(5.6) | 38.8(5.4) | 36.9(5.3) | 41.6(6.3) | 36.9(4.6) | 41.3(4.4) | 38.4(5.4) | 41.7(4.2) | 35.4(5.1) | 38.3(5.6) | 38.5(4.5) | 39.0(5.3) |
ΔGbind | −27.3 | −27.9 | −25.6 | −11.2 | −26.3 | −26.8 | −26.1 | −26.4 | −33.4 | −33.5 | −31.7 | −33.7 |