Binding information for 1gnj_ligand_4_589.mol2(FDBF00083)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1gnj_ligand_4_589.mol2 | 1gnj | 1 | -6.84 | C/C=C\C/C=C\C | 7 |
Structure and binding mode of 1gnj_ligand_4_589.mol2(FDBF00083)
Important binding residues for 1gnj_ligand_4_589.mol2(FDBF00083)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1gnj | LEU135 | -0.90 | -0.11 | -1.01 | 0.33 | -0.68 |
| 1gnj | TYR138 | -1.62 | 0.01 | -1.61 | 0.13 | -1.47 |
| 1gnj | LEU139 | -1.06 | 0.10 | -0.96 | -0.02 | -0.99 |
| 1gnj | ILE142 | -0.85 | -0.01 | -0.86 | -0.18 | -1.04 |
| 1gnj | PHE157 | -0.45 | -0.02 | -0.47 | 0.02 | -0.46 |
| 1gnj | ALA158 | -0.86 | -0.04 | -0.9 | 0.08 | -0.83 |
| 1gnj | TYR161 | -2.11 | -0.08 | -2.19 | 0.48 | -1.70 |
