Binding information for 1gnj_ligand_5_495.mol2(FDBF00084)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1gnj_ligand_5_495.mol2 | 1gnj | 1 | -6.90 | C(/C=C\C)/C=C\CC | 8 |
Structure and binding mode of 1gnj_ligand_5_495.mol2(FDBF00084)
Important binding residues for 1gnj_ligand_5_495.mol2(FDBF00084)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1gnj | LEU135 | -0.79 | 0.01 | -0.78 | 0.19 | -0.59 |
| 1gnj | TYR138 | -2.03 | 0.10 | -1.93 | 0.40 | -1.53 |
| 1gnj | ILE142 | -0.30 | -0.02 | -0.32 | -0.09 | -0.42 |
| 1gnj | TYR161 | -1.61 | -0.16 | -1.77 | 0.62 | -1.15 |
| 1gnj | LEU182 | -0.46 | -0.02 | -0.48 | 0.05 | -0.43 |
