Contributions of the most important amino acid residues for the binding of T109, T126, T160, T183 and dabrafenib to hBRk.
| T109 | T126 | T160 | T183 | Dabrafenib (DAB) | |||||
|---|---|---|---|---|---|---|---|---|---|
| Residue | ΔGbind | Residue | ΔGbind | Residue | ΔGbind | Residue | ΔGbind | Residue | ΔGbind |
| Lys483 | −6.86 | Lys483 | −2.68 | Thr529 | −3.63 | Lys483 | −3.09 | Gly593 | −3.45 |
| Asp594 | −3.93 | Phe583 | −2.27 | Lys483 | −2.74 | Asp594 | −2.38 | Trp531 | −2.63 |
| Ile527 | −2.21 | Leu514 | −2.19 | Leu514 | −2.43 | Val471 | −2.08 | Phe583 | −2.36 |
| Val471 | −2.07 | Val471 | −2.16 | Val471 | −2.05 | Gly593 | −2.07 | Thr529 | −2.23 |
| Phe583 | −1.77 | Thr529 | −1.80 | Leu505 | −1.85 | Ile463 | −2.02 | Leu514 | −1.93 |
| Leu514 | −1.51 | Ile463 | −1.73 | Phe583 | −1.77 | Leu514 | −1.97 | Val471 | −1.89 |
| Leu505 | −1.58 | Trp531 | −1.62 | Ile527 | −1.92 | Ile527 | −1.81 | ||
| Phe583 | −1.91 | Cys532 | −1.70 | ||||||
| Leu505 | −1.56 | ||||||||