Binding information for 4bgk_ligand_2_5.mol2(FDBF03156)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4bgk_ligand_2_5.mol2 | 4bgk | 0.666667 | -6.10 | [N+](C)(C)(C)CC | 6 |
Structure and binding mode of 4bgk_ligand_2_5.mol2(FDBF03156)
Important binding residues for 4bgk_ligand_2_5.mol2(FDBF03156)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4bgk | TYR177 | -1.98 | -1.91 | -3.89 | 2.14 | -1.76 |
| 4bgk | TRP181 | -1.78 | -2.65 | -4.43 | 2.50 | -1.93 |
| 4bgk | LYS186 | -0.03 | 7.83 | 7.8 | -8.12 | -0.32 |
| 4bgk | ALA193 | -0.49 | 1.94 | 1.45 | -2.17 | -0.73 |
| 4bgk | TYR194 | -0.76 | -19.96 | -20.72 | 20.36 | -0.36 |
| 4bgk | TYR205 | -0.81 | 0.52 | -0.29 | -0.05 | -0.34 |
| 4bgk | GLY364 | -0.04 | 20.31 | 20.27 | -20.61 | -0.34 |
