Binding information for 1gni_ligand_5_1750.mol2(FDBF00118)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1gni_ligand_5_1750.mol2 | 1gni | 1 | -6.78 | CC/C=C\CCC | 7 |
Structure and binding mode of 1gni_ligand_5_1750.mol2(FDBF00118)
Important binding residues for 1gni_ligand_5_1750.mol2(FDBF00118)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1gni | LEU139 | -0.73 | -0.00 | -0.73 | 0.07 | -0.66 |
| 1gni | ILE142 | -0.58 | -0.01 | -0.59 | -0.15 | -0.74 |
| 1gni | LEU154 | -0.60 | -0.07 | -0.67 | 0.19 | -0.48 |
| 1gni | PHE157 | -0.70 | 0.10 | -0.6 | 0.06 | -0.54 |
| 1gni | TYR161 | -1.70 | 0.20 | -1.5 | 0.64 | -0.87 |
