Binding information for 2uue_ligand_1_0.mol2(FDBF01340)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2uue_ligand_1_0.mol2 | 2uue | 0.808511 | -6.66 | c1(ccccc1)N1CCOCC1 | 12 |
Structure and binding mode of 2uue_ligand_1_0.mol2(FDBF01340)
Important binding residues for 2uue_ligand_1_0.mol2(FDBF01340)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2uue | ILE10 | -1.12 | -0.35 | -1.47 | 0.27 | -1.21 |
| 2uue | VAL18 | -0.24 | 0.09 | -0.15 | -0.26 | -0.41 |
| 2uue | PHE82 | -0.34 | 0.01 | -0.33 | 0.01 | -0.32 |
| 2uue | GLN85 | -0.78 | -0.45 | -1.23 | 0.19 | -1.04 |
| 2uue | LYS89 | -0.66 | -5.96 | -6.62 | 4.99 | -1.63 |
| 2uue | LEU134 | -0.72 | -0.11 | -0.83 | -0.05 | -0.88 |
