Binding information for 1yqy_ligand_1_3.mol2(FDBF00255)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1yqy_ligand_1_3.mol2 | 1yqy | 0.777778 | -5.95 | C1(CCOCC1)C | 7 |
Structure and binding mode of 1yqy_ligand_1_3.mol2(FDBF00255)
Important binding residues for 1yqy_ligand_1_3.mol2(FDBF00255)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1yqy | PHE329 | -0.56 | 0.07 | -0.49 | 0.02 | -0.47 |
| 1yqy | VAL653 | -0.89 | -0.30 | -1.19 | -0.09 | -1.28 |
| 1yqy | LEU658 | -0.56 | -0.00 | -0.56 | 0.09 | -0.47 |
| 1yqy | GLU735 | -0.43 | -1.56 | -1.99 | 1.25 | -0.74 |
