TABLE 3.
Protein-protein interactions in the proposed C-Raf/RKIP wild-type (WT) structural complex refined through molecular dynamics simulations.
| Hydrogen bond interactions | Hydrophobic interactions | Electrostatic interactions | ||||||
|---|---|---|---|---|---|---|---|---|
| C-raf | RKIP | Distance | C-raf | RKIP | C-raf | RKIP | ||
| Residues | Atoms | Residues | Atoms | (Å) | Residues | Residues | Residues | Residues |
| Tyr340 | H2 | Gly110 | O | 2.76 | Tyr340 | Trp84 | Glu345 | Lys80 |
| Tyr340 | H2 | Tyr181 | OH | 2.08 | Tyr340 | Tyr181 | Glu348 | Lys80 |
| Tyr340 | HH | Gly108 | O | 2.38 | Tyr341 | Pro74 | Lys399 | Glu182 |
| Tyr341 | OH | Trp84 | HE1 | 2.89 | Tyr341 | Tyr81 | ||
| Arg398 | HH12 | Gly186 | OC1 | 1.78 | ||||
| Arg398 | HH22 | Gly186 | OC2 | 1.79 | ||||