Binding information for 1gnj_ligand_4_385.mol2(FDBF00083)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1gnj_ligand_4_385.mol2 | 1gnj | 1 | -6.76 | C(/C=C\C)/C=C\C | 7 |
Structure and binding mode of 1gnj_ligand_4_385.mol2(FDBF00083)
Important binding residues for 1gnj_ligand_4_385.mol2(FDBF00083)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1gnj | LEU135 | -0.79 | 0.01 | -0.78 | 0.19 | -0.59 |
| 1gnj | TYR138 | -1.90 | 0.10 | -1.8 | 0.32 | -1.48 |
| 1gnj | ILE142 | -0.26 | -0.02 | -0.28 | -0.08 | -0.36 |
| 1gnj | TYR161 | -1.52 | -0.16 | -1.68 | 0.56 | -1.12 |
| 1gnj | LEU182 | -0.39 | -0.02 | -0.41 | 0.03 | -0.38 |
