Binding information for 2bys_ligand_2_14.mol2(FDBF07241)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2bys_ligand_2_14.mol2 | 2bys | 0.821429 | -7.28 | C[C@@H](O)c1ccccc1 | 9 |
Structure and binding mode of 2bys_ligand_2_14.mol2(FDBF07241)
Important binding residues for 2bys_ligand_2_14.mol2(FDBF07241)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2bys | TYR93 | -1.69 | -0.25 | -1.94 | 0.40 | -1.54 |
| 2bys | LYS143 | -1.07 | 0.63 | -0.44 | -0.17 | -0.61 |
| 2bys | PHE144 | -0.67 | -0.07 | -0.74 | -0.11 | -0.85 |
| 2bys | GLY145 | -1.05 | -0.16 | -1.21 | 0.05 | -1.16 |
| 2bys | TYR195 | -1.02 | 0.35 | -0.67 | 0.18 | -0.49 |
