Binding information for 2yiu_ligand_3_159.mol2(FDBF00169)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2yiu_ligand_3_159.mol2 | 2yiu | 1 | -5.89 | C(C)(C)COC | 6 |
Structure and binding mode of 2yiu_ligand_3_159.mol2(FDBF00169)
Important binding residues for 2yiu_ligand_3_159.mol2(FDBF00169)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2yiu | MET140 | -1.61 | -0.61 | -2.22 | 0.18 | -2.03 |
| 2yiu | GLY141 | -0.60 | 0.12 | -0.48 | 0.08 | -0.40 |
| 2yiu | PHE144 | -0.71 | -0.15 | -0.86 | 0.17 | -0.69 |
| 2yiu | ILE162 | -0.91 | -0.05 | -0.96 | -0.06 | -1.02 |
| 2yiu | LEU165 | -0.30 | 0.04 | -0.26 | -0.05 | -0.31 |
| 2yiu | PHE298 | -0.72 | -0.06 | -0.78 | 0.29 | -0.49 |
| 2yiu | PHE337 | -0.62 | 0.12 | -0.5 | 0.08 | -0.42 |
