Binding information for 1gnj_ligand_3_230.mol2(FDBF00129)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1gnj_ligand_3_230.mol2 | 1gnj | 1 | -6.62 | CCC/C=C\C | 6 |
Structure and binding mode of 1gnj_ligand_3_230.mol2(FDBF00129)
Important binding residues for 1gnj_ligand_3_230.mol2(FDBF00129)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1gnj | LEU135 | -0.88 | -0.11 | -0.99 | 0.29 | -0.70 |
| 1gnj | TYR138 | -1.05 | 0.06 | -0.99 | 0.16 | -0.83 |
| 1gnj | LEU139 | -1.10 | 0.05 | -1.05 | -0.00 | -1.05 |
| 1gnj | ILE142 | -0.77 | -0.02 | -0.79 | -0.17 | -0.96 |
| 1gnj | PHE157 | -0.45 | -0.06 | -0.51 | 0.03 | -0.48 |
| 1gnj | ALA158 | -0.86 | -0.12 | -0.98 | 0.12 | -0.86 |
| 1gnj | TYR161 | -1.58 | -0.05 | -1.63 | 0.41 | -1.23 |
