Binding information for 4bhf_ligand_1_0.mol2(FDBF00068)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4bhf_ligand_1_0.mol2 | 4bhf | 1 | -6.10 | [N+](C)(C)(C)CC | 6 |
Structure and binding mode of 4bhf_ligand_1_0.mol2(FDBF00068)
Important binding residues for 4bhf_ligand_1_0.mol2(FDBF00068)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4bhf | TYR177 | -1.91 | -1.80 | -3.71 | 2.11 | -1.60 |
| 4bhf | TRP181 | -1.65 | -2.42 | -4.07 | 2.47 | -1.59 |
| 4bhf | ALA193 | -0.56 | 2.05 | 1.49 | -2.28 | -0.79 |
| 4bhf | TYR194 | -1.10 | -19.60 | -20.7 | 20.12 | -0.59 |
| 4bhf | TYR205 | -0.95 | 0.66 | -0.29 | -0.19 | -0.48 |
