Binding information for 1gnj_ligand_5_1266.mol2(FDBF00084)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1gnj_ligand_5_1266.mol2 | 1gnj | 1 | -7.00 | C/C=C\C/C=C\CC | 8 |
Structure and binding mode of 1gnj_ligand_5_1266.mol2(FDBF00084)
Important binding residues for 1gnj_ligand_5_1266.mol2(FDBF00084)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1gnj | TYR138 | -0.75 | 0.11 | -0.64 | -0.02 | -0.67 |
| 1gnj | LEU139 | -1.04 | 0.06 | -0.98 | -0.03 | -1.01 |
| 1gnj | ILE142 | -1.49 | -0.11 | -1.6 | -0.26 | -1.86 |
| 1gnj | LEU154 | -0.88 | -0.06 | -0.94 | 0.28 | -0.66 |
| 1gnj | PHE157 | -1.28 | -0.09 | -1.37 | 0.06 | -1.31 |
| 1gnj | ALA158 | -1.02 | -0.05 | -1.07 | 0.04 | -1.03 |
| 1gnj | TYR161 | -1.40 | -0.21 | -1.61 | 0.64 | -0.97 |
