Binding information for 2y56_ligand_2_5.mol2(FDBF07242)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2y56_ligand_2_5.mol2 | 2y56 | 0.821429 | -6.93 | C[C@H](O)c1ccccc1 | 9 |
Structure and binding mode of 2y56_ligand_2_5.mol2(FDBF07242)
Important binding residues for 2y56_ligand_2_5.mol2(FDBF07242)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2y56 | ALA90 | -0.29 | 0.00 | -0.29 | -0.07 | -0.35 |
| 2y56 | TYR91 | -1.60 | -0.34 | -1.94 | 0.65 | -1.29 |
| 2y56 | PHE142 | -0.73 | 0.10 | -0.63 | -0.14 | -0.77 |
| 2y56 | GLY143 | -0.91 | -0.43 | -1.34 | 0.56 | -0.78 |
| 2y56 | TRP145 | -1.77 | 0.16 | -1.61 | 0.54 | -1.07 |
