Binding information for 4bhf_ligand_2_1.mol2(FDBF00588)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4bhf_ligand_2_1.mol2 | 4bhf | 0.857143 | -6.47 | [N+](C)(C)(C)C(C)C | 7 |
Structure and binding mode of 4bhf_ligand_2_1.mol2(FDBF00588)
Important binding residues for 4bhf_ligand_2_1.mol2(FDBF00588)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4bhf | TYR177 | -2.00 | -1.77 | -3.77 | 2.07 | -1.69 |
| 4bhf | TRP181 | -1.69 | -2.36 | -4.05 | 2.36 | -1.69 |
| 4bhf | ALA193 | -0.73 | 2.08 | 1.35 | -2.31 | -0.96 |
| 4bhf | TYR194 | -1.14 | -19.61 | -20.75 | 20.13 | -0.63 |
| 4bhf | TYR205 | -1.05 | 0.74 | -0.31 | -0.19 | -0.49 |
