Binding information for 1o9e_ligand_2_42.mol2(FDBF00684)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1o9e_ligand_2_42.mol2 | 1o9e | 1 | -5.42 | COC(C)C | 5 |
Structure and binding mode of 1o9e_ligand_2_42.mol2(FDBF00684)
Important binding residues for 1o9e_ligand_2_42.mol2(FDBF00684)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1o9e | GLU46 | -0.53 | -0.04 | -0.57 | 0.21 | -0.35 |
| 1o9e | ASN49 | -0.86 | -0.69 | -1.55 | 0.99 | -0.56 |
| 1o9e | LEU50 | -0.98 | -0.02 | -1 | 0.03 | -0.98 |
