Binding information for 2yiu_ligand_3_131.mol2(FDBF00169)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2yiu_ligand_3_131.mol2 | 2yiu | 1 | -5.97 | C(C)(C)COC | 6 |
Structure and binding mode of 2yiu_ligand_3_131.mol2(FDBF00169)
Important binding residues for 2yiu_ligand_3_131.mol2(FDBF00169)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2yiu | MET140 | -1.02 | 0.11 | -0.91 | 0.19 | -0.73 |
| 2yiu | ILE162 | -0.51 | 0.06 | -0.45 | -0.20 | -0.65 |
| 2yiu | LEU165 | -0.35 | -0.07 | -0.42 | 0.04 | -0.38 |
| 2yiu | PHE298 | -1.72 | 0.05 | -1.67 | 0.38 | -1.28 |
| 2yiu | PHE301 | -0.75 | 0.00 | -0.75 | 0.07 | -0.68 |
| 2yiu | MET336 | -1.12 | -0.54 | -1.66 | 0.85 | -0.81 |
| 2yiu | PHE337 | -0.74 | 0.04 | -0.7 | 0.37 | -0.33 |
