Binding information for 4bbg_ligand_1_4.mol2(FDBF02914)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4bbg_ligand_1_4.mol2 | 4bbg | 1 | -6.82 | Cc1cccc(c1)O | 8 |
Structure and binding mode of 4bbg_ligand_1_4.mol2(FDBF02914)
Important binding residues for 4bbg_ligand_1_4.mol2(FDBF02914)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4bbg | GLY117 | -0.41 | 0.20 | -0.21 | -0.10 | -0.31 |
| 4bbg | GLU118 | 3.64 | -7.05 | -3.41 | 2.87 | -0.54 |
| 4bbg | ARG119 | -1.73 | -1.87 | -3.6 | 0.95 | -2.65 |
| 4bbg | TRP127 | -1.06 | -0.15 | -1.21 | 0.34 | -0.86 |
| 4bbg | LEU132 | -0.37 | -0.29 | -0.66 | 0.06 | -0.60 |
| 4bbg | ALA133 | -0.51 | -0.69 | -1.2 | 0.07 | -1.13 |
| 4bbg | PRO137 | -1.02 | -0.44 | -1.46 | 0.31 | -1.15 |
| 4bbg | TYR211 | -0.60 | 0.00 | -0.6 | 0.19 | -0.41 |
| 4bbg | LEU214 | -0.50 | 0.01 | -0.49 | -0.04 | -0.53 |
