Binding information for 4bgm_ligand_3_6.mol2(FDBF00289)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4bgm_ligand_3_6.mol2 | 4bgm | 1 | -6.00 | [N+](C)(C)(CC)C | 6 |
Structure and binding mode of 4bgm_ligand_3_6.mol2(FDBF00289)
Important binding residues for 4bgm_ligand_3_6.mol2(FDBF00289)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4bgm | TYR177 | -1.35 | -2.27 | -3.62 | 2.48 | -1.14 |
| 4bgm | TRP181 | -1.46 | -2.29 | -3.75 | 2.30 | -1.44 |
| 4bgm | ALA193 | -0.52 | 2.21 | 1.69 | -2.29 | -0.60 |
| 4bgm | TYR194 | -1.06 | -2.69 | -3.75 | 2.75 | -1.00 |
