Table 5.
Protein crystal structure structures including the selected structure in cross-docking and the average RMSD between the predict ligand binding conformations and the native conformations.
| Target | PDB ID | Ligand | Average RMSD | Selected PDB ID |
|---|---|---|---|---|
| CARM1 | 2y1w | SFG | 0.32 | 2y1w |
| 5dx1 | SFG | 0.44 | ||
| 5is6 | SFG | 0.46 | ||
| 6arv | SAH | 0.46 | ||
| 5dwq | SFG | 0.48 | ||
| 5dxa | SFG | 0.49 | ||
| 5dxj | SFG | 0.49 | ||
| 5lv3 | SAH | 0.50 | ||
| 5dx8 | SFG | 0.56 | ||
| 5dx0 | SFG | 0.62 | ||
| 6arj | SAH | 1.83 | ||
| 2v74 | SAH | 1.84 | ||
| 5ih3 | SAH | 2.09 | ||
| 5u4x | SAH | 2.24 | ||
| 6d2l | FTG | 3.34 | ||
| 2y1x | SAH | 3.40 | ||
| 4ikp | 4IK | 3.45 | ||
| 5k8v | 6RE | 3.48 | ||
| 5is8 | SAH | 3.59 | ||
| 3b3f | SAH | 3.65 | ||
| DNMT1 | 3swr | SFG | 0.81 | 3swr |
| 5gut | SAH | 0.89 | ||
| 3av5 | SAH | 0.90 | ||
| 3pta | SAH | 0.98 | ||
| 3pt6 | SAH | 1.02 | ||
| 3pt9 | SAH | 1.13 | ||
| 4wxx | SAH | 1.27 | ||
| 3av6 | SAM | 1.32 | ||
| 4da4 | SAH | 2.09 | ||
| DOT1L | 1nw3 | SAM | 1.17 | 1nw3 |
| 3sx0 | SX0 | 1.19 | ||
| 4er0 | AW1 | 1.24 | ||
| 4ek9 | EP4 | 1.45 | ||
| 4ekg | 0QJ | 1.52 | ||
| 5juw | 6NR | 1.68 | ||
| 4eqz | AW0 | 1.74 | ||
| 4hra | EP6 | 1.74 | ||
| 3uwp | 5ID | 1.76 | ||
| 4er7 | AW3 | 1.79 | ||
| 4eki | 0QK | 1.98 | ||
| 3qox | SAH | 3.68 | ||
| 4er3 | 0QK | 3.75 | ||
| 3sr4 | TT8 | 3.91 | ||
| 3qow | SAM | 3.97 | ||
| 4er6 | AW2 | 4.03 | ||
| 5mw3 | 5JT | 4.19 | ||
| 4wvl | 3US | 4.39 | ||
| 4er5 | 0QK | 4.98 | ||
| 5mw4 | 5JU | 5.02 | ||
| EHMT1 | 2igq | SAH | 0.44 | 2igq |
| 3mo2 | SAH | 0.74 | ||
| 3mo5 | SAH | 0.89 | ||
| 3sw9 | SFG | 0.90 | ||
| 4i51 | SAH | 0.93 | ||
| 3fpd | SAH | 0.95 | ||
| 5tuz | SAM | 0.98 | ||
| 3hna | SAH | 1.01 | ||
| 5vsd | SAM | 1.11 | ||
| 3mo0 | SAH | 1.13 | ||
| 5vsf | SAM | 1.15 | ||
| 2rfi | SAH | 1.18 | ||
| 5ttg | SAM | 2.49 | ||
| 3swc | SAH | 2.57 | ||
| 5v9j | SAM | 2.59 | ||
| EHMT2 | 3k5k | SAH | 0.69 | 3k5k |
| 5t0m | SAM | 0.71 | ||
| 5vse | SAM | 0.72 | ||
| 5tuy | SAM | 0.75 | ||
| 5v9i | SAM | 0.75 | ||
| 5jhn | SAM | 0.86 | ||
| 3rjw | SAH | 0.89 | ||
| 4nvq | SAH | 0.90 | ||
| 5t0k | SAM | 0.92 | ||
| 5jj0 | SAM | 0.97 | ||
| 5jin | SAM | 0.98 | ||
| 5ttf | SAM | 1.02 | ||
| 5vsc | SAM | 1.04 | ||
| 2o8j | SAH | 1.14 | ||
| 5jiy | SAM | 1.73 | ||
| SETD8 | 2bqz | SAH | 1.27 | 2bqz |
| 1zkk | SAH | 1.33 | ||
| 3f9z | SAH | 1.34 | ||
| 5teg | SAM | 1.50 | ||
| 3f9w | SAH | 1.73 | ||
| 3f9x | SAH | 2.59 | ||
| 4ij8 | SAM | 2.63 | ||
| 3f9y | SAH | 2.66 | ||
| PRMT1 | 1or8 | SAH | 0.65 | 1or8 |
| 1orh | SAH | 0.94 | ||
| 1ori | SAH | 0.97 | ||
| 3q7e | SAH | 3.99 | ||
| PRMT3 | 1f3l | SAH | 0.47 | 1f3l |
| 2fyt | SAH | 3.95 | ||
| PRMT5 | 5emk | SFG | 0.76 | 5emk |
| 5emm | SFG | 0.91 | ||
| 4gqb | 0XU | 1.15 | ||
| 6ckc | F5J | 1.29 | ||
| 4x63 | SAH | 1.54 | ||
| 5emj | SFG | 1.56 | ||
| 3ua3 | SAH | 1.61 | ||
| 5c9z | SFG | 2.03 | ||
| 5eml | SAM | 2.10 | ||
| 4x60 | SFG | 2.30 | ||
| 5fa5 | MTA | 2.57 | ||
| 4g56 | SAH | 2.71 | ||
| 4x61 | SAM | 3.13 | ||
| PRMT6 | 4c04 | SFG | 0.64 | 4c04 |
| 4y30 | SAH | 0.70 | ||
| 4qqk | 37H | 0.89 | ||
| 5wcf | SAH | 0.89 | ||
| 4c03 | SFG | 0.92 | ||
| 4hc4 | SAH | 0.94 | ||
| 4c05 | SAH | 0.99 | ||
| 5fqo | SAH | 1.24 | ||
| 4qpp | SAH | 1.29 | ||
| 5hzm | SAH | 1.29 | ||
| 5egs | SAH | 1.37 | ||
| 4y2h | SAH | 1.61 | ||
| 5fqn | SAH | 3.03 | ||
| 5e8r | SAH | 3.78 | ||
| 4lwp | SAH | 3.91 | ||
| SETD7 | 3vv0 | KH3 | 0.72 | 3vv0 |
| 3vuz | K15 | 0.91 | ||
| 4e47 | SAM | 1.02 | ||
| 4j83 | SAM | 1.02 | ||
| 3m57 | SAH | 1.05 | ||
| 3m5a | SAH | 1.07 | ||
| 1n6a | SAM | 1.14 | ||
| 3m55 | SAH | 1.58 | ||
| 3m58 | SAH | 1.89 | ||
| 3cbm | SAH | 2.00 | ||
| 3cbo | SAH | 2.07 | ||
| 3m59 | SAH | 2.36 | ||
| 4j7i | SAH | 2.38 | ||
| 4j7f | SAH | 2.41 | ||
| 5eg2 | SAH | 2.46 | ||
| 3m53 | SAH | 2.54 | ||
| 4jlg | SAM | 2.56 | ||
| 3m56 | SAH | 2.74 | ||
| 4j8o | SAH | 2.77 | ||
| 3cbp | SFG | 2.90 | ||
| 1o9s | SAH | 3.07 | ||
| 3os5 | SAH | 3.07 | ||
| 2f69 | SAH | 3.08 | ||
| 3m54 | SAH | 3.27 | ||
| 1xqh | SAH | 3.48 | ||
| 4jds | SAM | 3.73 | ||
| 5ayf | SAM | 4.31 | ||
| 1n6c | SAM | 5.91 | ||
| 1mt6 | SAH | 7.82 | ||
| SUV39H2 | 2r3a | SAM | 0.69 | 2r3a |