Binding information for 3d0b_ligand_3_10.mol2(FDBF02825)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3d0b_ligand_3_10.mol2 | 3d0b | 1 | -6.59 | C(Nc1ccccc1)C | 9 |
Structure and binding mode of 3d0b_ligand_3_10.mol2(FDBF02825)
Important binding residues for 3d0b_ligand_3_10.mol2(FDBF02825)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3d0b | ASN51 | -1.24 | -0.95 | -2.19 | 0.84 | -1.36 |
| 3d0b | ALA55 | -0.50 | 0.10 | -0.4 | -0.24 | -0.63 |
| 3d0b | ILE96 | -0.34 | 0.06 | -0.28 | -0.16 | -0.43 |
| 3d0b | MET98 | -1.84 | 0.34 | -1.5 | 0.19 | -1.32 |
| 3d0b | LEU107 | -0.87 | -0.00 | -0.87 | -0.07 | -0.94 |
| 3d0b | PHE138 | -0.69 | -0.15 | -0.84 | 0.30 | -0.55 |
| 3d0b | VAL150 | -0.22 | -0.05 | -0.27 | -0.04 | -0.32 |
| 3d0b | THR184 | -0.51 | 0.15 | -0.36 | 0.03 | -0.34 |
