Binding information for 4bgk_ligand_1_3.mol2(FDBF00064)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4bgk_ligand_1_3.mol2 | 4bgk | 1 | -5.64 | [N+](C)(C)(C)C | 5 |
Structure and binding mode of 4bgk_ligand_1_3.mol2(FDBF00064)
Important binding residues for 4bgk_ligand_1_3.mol2(FDBF00064)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4bgk | TYR177 | -1.60 | -2.04 | -3.64 | 2.20 | -1.44 |
| 4bgk | TRP181 | -1.71 | -2.72 | -4.43 | 2.57 | -1.87 |
| 4bgk | ALA193 | -0.48 | 1.97 | 1.49 | -2.18 | -0.69 |
| 4bgk | TYR194 | -0.73 | -20.14 | -20.87 | 20.46 | -0.41 |
