Binding information for 1gnj_ligand_3_202.mol2(FDBF00082)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1gnj_ligand_3_202.mol2 | 1gnj | 1 | -6.62 | C/C=C\CCC | 6 |
Structure and binding mode of 1gnj_ligand_3_202.mol2(FDBF00082)
Important binding residues for 1gnj_ligand_3_202.mol2(FDBF00082)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1gnj | LEU135 | -0.92 | 0.00 | -0.92 | 0.25 | -0.67 |
| 1gnj | TYR138 | -1.64 | -0.05 | -1.69 | 0.21 | -1.48 |
| 1gnj | LEU139 | -1.19 | 0.05 | -1.14 | 0.01 | -1.13 |
| 1gnj | ILE142 | -0.63 | -0.02 | -0.65 | -0.11 | -0.76 |
| 1gnj | ALA158 | -0.81 | 0.08 | -0.73 | 0.03 | -0.71 |
| 1gnj | TYR161 | -1.75 | -0.03 | -1.78 | 0.35 | -1.43 |
