Binding information for 1o9e_ligand_2_44.mol2(FDBF00620)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1o9e_ligand_2_44.mol2 | 1o9e | 1 | -5.53 | C(=C)C(O)(C)C | 6 |
Structure and binding mode of 1o9e_ligand_2_44.mol2(FDBF00620)
Important binding residues for 1o9e_ligand_2_44.mol2(FDBF00620)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1o9e | GLU46 | -0.56 | 0.08 | -0.48 | 0.10 | -0.38 |
| 1o9e | LEU50 | -1.06 | -0.04 | -1.1 | 0.06 | -1.05 |
