Binding information for 1h08_ligand_3_0.mol2(FDBF00215)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1h08_ligand_3_0.mol2 | 1h08 | 1 | -6.18 | C(O)COc1ccccc1 | 10 |
Structure and binding mode of 1h08_ligand_3_0.mol2(FDBF00215)
Important binding residues for 1h08_ligand_3_0.mol2(FDBF00215)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1h08 | ILE10 | -1.93 | -0.88 | -2.81 | 1.38 | -1.43 |
| 1h08 | PHE82 | -0.52 | 0.00 | -0.52 | 0.10 | -0.41 |
| 1h08 | GLN85 | -0.91 | -0.68 | -1.59 | 0.05 | -1.54 |
| 1h08 | LYS88 | -0.15 | -0.88 | -1.03 | 0.64 | -0.39 |
| 1h08 | LYS89 | -0.87 | -1.49 | -2.36 | 1.54 | -0.81 |
| 1h08 | LEU134 | -0.49 | -0.02 | -0.51 | -0.09 | -0.60 |
