Interactions between key residues of BRD7/BRD9 and three inhibitors (all values are in kcal mol−1).
| BRDs | Key residues | Inhibitors | ||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| 4L2 | 5U6 | 6KT | ||||||||
| Sidechain | Backbone | Total | Sidechain | Backbone | Total | Sidechain | Backbone | Total | ||
| BRD7 | A154 | −0.25 | −0.17 | −0.42 | −0.33 | −0.29 | −0.62 | −0.02 | −0.02 | −0.04 |
| F155 | −1.40 | −0.23 | −1.63 | −2.07 | −0.01 | −2.08 | −0.62 | −0.12 | −0.74 | |
| F156 | −0.46 | −0.15 | −0.61 | −0.64 | −0.16 | −0.81 | −0.48 | −0.10 | −0.58 | |
| F158 | −0.51 | 0.03 | −0.48 | −0.44 | 0.15 | −0.29 | −0.03 | 0.03 | −0.01 | |
| V160 | −1.89 | −0.24 | −2.13 | −1.88 | −0.42 | −2.30 | −0.78 | −0.04 | −0.82 | |
| I164 | −1.18 | −0.10 | −1.28 | −2.18 | −0.23 | −2.41 | −0.61 | −0.14 | −0.75 | |
| Y168 | −0.31 | −0.01 | −0.33 | −0.29 | −0.02 | −0.31 | −0.34 | −0.01 | −0.35 | |
| N211 | −1.86 | 0.02 | −1.84 | −1.86 | 0.02 | −1.84 | −1.34 | 0.01 | −1.33 | |
| Y217 | −2.41 | −0.14 | −2.55 | −2.63 | −0.15 | −2.78 | −1.33 | −0.09 | −1.42 | |
| BRD9 | G43 | −0.11 | −0.07 | −0.18 | −0.15 | −0.37 | −0.52 | −0.01 | −0.05 | −0.06 |
| F44 | −1.51 | −0.30 | −1.81 | −2.09 | −0.21 | −2.31 | −1.17 | −0.19 | −1.37 | |
| F45 | −0.40 | −0.13 | −0.53 | −0.58 | −0.16 | −0.74 | −0.64 | −0.11 | −0.74 | |
| F47 | −0.57 | 0.06 | −0.51 | −0.57 | 0.24 | −0.34 | −0.04 | 0.04 | 0.00 | |
| V49 | −1.93 | −0.25 | −2.19 | −2.02 | −0.46 | −2.48 | −1.04 | −0.05 | −1.09 | |
| I53 | −1.24 | −0.09 | −1.33 | −2.24 | −0.20 | −2.44 | −0.67 | −0.14 | −0.81 | |
| A54 | −0.47 | −0.08 | −0.54 | −0.60 | −0.20 | −0.81 | −0.43 | −0.06 | −0.49 | |
| Y57 | −0.28 | −0.01 | −0.30 | −0.29 | −0.01 | −0.31 | −0.94 | −0.01 | −0.96 | |
| A96 | −0.33 | −0.31 | −0.64 | −0.35 | −0.22 | −0.57 | −0.45 | −0.35 | −0.80 | |
| Y99 | −0.48 | −0.02 | −0.50 | −0.51 | −0.02 | −0.52 | −0.49 | −0.05 | −0.54 | |
| N100 | −1.80 | 0.01 | −1.79 | −1.82 | 0.01 | −1.81 | −1.32 | −0.00 | −1.32 | |
| Y106 | −2.37 | −0.14 | −2.51 | −2.62 | −0.13 | −2.76 | −1.46 | −0.11 | −1.57 | |