Binding information for 1xm6_ligand_frag_0.mol2(FDBF07651)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1xm6_ligand_frag_0.mol2 | 1xm6 | 0.607143 | -5.72 | O=C1O[C@H](CN1)C | 7 |
Structure and binding mode of 1xm6_ligand_frag_0.mol2(FDBF07651)
Important binding residues for 1xm6_ligand_frag_0.mol2(FDBF07651)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1xm6 | MET347 | -0.74 | -1.60 | -2.34 | 1.89 | -0.45 |
| 1xm6 | LEU393 | -0.40 | 0.02 | -0.38 | -0.01 | -0.39 |
| 1xm6 | ILE410 | -0.67 | 0.16 | -0.51 | -0.22 | -0.73 |
| 1xm6 | PHE414 | -0.59 | 0.01 | -0.58 | 0.16 | -0.42 |
| 1xm6 | PHE446 | -0.54 | 0.10 | -0.44 | -0.02 | -0.46 |
| 1xm6 | LEU510 | -1.13 | 0.01 | -1.12 | -0.21 | -1.33 |
