Binding information for 2xfj_ligand_3_137.mol2(FDBF00143)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2xfj_ligand_3_137.mol2 | 2xfj | 1 | -7.23 | C(Cc1ccccc1)NC=O | 11 |
Structure and binding mode of 2xfj_ligand_3_137.mol2(FDBF00143)
Important binding residues for 2xfj_ligand_3_137.mol2(FDBF00143)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2xfj | LEU91 | -0.76 | 0.86 | 0.1 | -0.79 | -0.69 |
| 2xfj | TYR132 | -1.91 | -1.27 | -3.18 | 1.28 | -1.90 |
| 2xfj | THR133 | -0.82 | -3.49 | -4.31 | 2.62 | -1.69 |
| 2xfj | GLN134 | -1.27 | -2.27 | -3.54 | 2.41 | -1.14 |
| 2xfj | PHE169 | -1.40 | -0.46 | -1.86 | 1.16 | -0.71 |
| 2xfj | ILE179 | -0.69 | 0.07 | -0.62 | -0.16 | -0.78 |
| 2xfj | GLY291 | -0.74 | -2.15 | -2.89 | 1.90 | -1.00 |
| 2xfj | THR292 | -0.90 | 0.11 | -0.79 | 0.41 | -0.39 |
