Binding information for 1xm6_ligand_3_6.mol2(FDBF00297)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1xm6_ligand_3_6.mol2 | 1xm6 | 1 | -6.81 | COc1c(OC)cccc1 | 10 |
Structure and binding mode of 1xm6_ligand_3_6.mol2(FDBF00297)
Important binding residues for 1xm6_ligand_3_6.mol2(FDBF00297)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1xm6 | TYR233 | -0.99 | 0.13 | -0.86 | 0.53 | -0.34 |
| 1xm6 | TRP406 | -0.64 | 0.30 | -0.34 | -0.08 | -0.43 |
| 1xm6 | THR407 | -0.74 | -0.23 | -0.97 | 0.13 | -0.84 |
| 1xm6 | ILE410 | -1.76 | -0.44 | -2.2 | -0.10 | -2.30 |
| 1xm6 | PHE414 | -0.59 | 0.19 | -0.4 | 0.09 | -0.31 |
| 1xm6 | GLN443 | -1.18 | -2.02 | -3.2 | 1.00 | -2.20 |
| 1xm6 | PHE446 | -2.61 | 0.28 | -2.33 | 0.65 | -1.67 |
| 1xm6 | LEU510 | -0.54 | 0.09 | -0.45 | -0.03 | -0.48 |
