Binding information for 2yiu_ligand_3_155.mol2(FDBF00169)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2yiu_ligand_3_155.mol2 | 2yiu | 1 | -5.87 | O(C)CC(C)C | 6 |
Structure and binding mode of 2yiu_ligand_3_155.mol2(FDBF00169)
Important binding residues for 2yiu_ligand_3_155.mol2(FDBF00169)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2yiu | MET140 | -1.32 | 0.09 | -1.23 | 0.21 | -1.02 |
| 2yiu | GLY141 | -0.34 | -0.01 | -0.35 | 0.04 | -0.31 |
| 2yiu | PHE144 | -0.68 | 0.07 | -0.61 | -0.01 | -0.62 |
| 2yiu | ILE162 | -0.91 | 0.06 | -0.85 | -0.19 | -1.05 |
| 2yiu | LEU165 | -0.39 | -0.07 | -0.46 | 0.04 | -0.41 |
| 2yiu | PHE298 | -0.74 | 0.04 | -0.7 | 0.12 | -0.58 |
| 2yiu | MET336 | -0.75 | -0.51 | -1.26 | 0.80 | -0.47 |
| 2yiu | PHE337 | -0.96 | 0.04 | -0.92 | 0.34 | -0.57 |
