Binding information for 3ixk_ligand_3_694.mol2(FDBF00826)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3ixk_ligand_3_694.mol2 | 3ixk | 0.666667 | -5.42 | C(C)OC | 4 |
Structure and binding mode of 3ixk_ligand_3_694.mol2(FDBF00826)
Important binding residues for 3ixk_ligand_3_694.mol2(FDBF00826)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3ixk | LEU78 | -0.49 | -0.23 | -0.72 | 0.28 | -0.44 |
| 3ixk | TYR119 | -1.01 | -0.09 | -1.1 | 0.42 | -0.68 |
| 3ixk | ILE166 | -0.39 | -0.00 | -0.39 | -0.02 | -0.42 |
