Binding information for 5aen_ligand_1_1.mol2(FDBF00006)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 5aen_ligand_1_1.mol2 | 5aen | 1 | -6.78 | c1ccc(cc1)O | 7 |
Structure and binding mode of 5aen_ligand_1_1.mol2(FDBF00006)
Important binding residues for 5aen_ligand_1_1.mol2(FDBF00006)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 5aen | GLN136 | -1.33 | -0.65 | -1.98 | 0.35 | -1.63 |
| 5aen | ALA137 | -1.05 | 0.06 | -0.99 | 0.03 | -0.96 |
| 5aen | TRP311 | -0.85 | 0.21 | -0.64 | 0.23 | -0.41 |
| 5aen | PHE314 | -1.08 | -0.07 | -1.15 | 0.55 | -0.60 |
| 5aen | TYR378 | -1.49 | -0.61 | -2.1 | 0.72 | -1.38 |
