Table 3.
The binding affinity and the dissociation constant values with their respective central structure number and interfacial contact between BBM and interacting proteins.
| Receptor (BBM Protein) | Ligand (Interacting Proteins) | Central Structure | Binding Affinity ΔG (kcal mol−1) | Dissociation Constant Kd (M) | Polar: Polar | Non-Polar: Non-Polar |
|---|---|---|---|---|---|---|
| BBM-frag1 | LEC2 | dock46 | −11.2 | 5.7 × 10−9 | 5 | 12 |
| BBM-frag1 | WUS | dock45 | −10.6 | 1.7 × 10−8 | 0 | 9 |
| BBM-frag1 | LEC1 | dock3 | −12.3 | 8.8 × 10−10 | 4 | 11 |
| BBM-frag1 | AGLI5-frag1 | dock86 | −11.1 | 7.7 × 10−9 | 3 | 9 |
| BBM-frag1 | AGLI5-frag2 | dock28 | −10.1 | 4.0 × 10−8 | 0 | 3 |
| BBM-frag2 | LEC2 | dock28 | −8.6 | 4.8 × 10−7 | 0 | 7 |
| BBM-frag2 | WUS | dock7 | −9.5 | 1.0 × 10−7 | 0 | 15 |
| BBM-frag2 | LEC1 | dock33 | −8.7 | 4.1 × 10−7 | 2 | 32 |
| BBM-frag2 | AGLI5-frag1 | dock61 | −9.7 | 7.5 × 10−8 | 0 | 31 |
| BBM-frag2 | AGLI5-frag2 | dock2 | −8.5 | 5.9 × 10−7 | 5 | 14 |