Binding information for 1gni_ligand_4_875.mol2(FDBF00116)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1gni_ligand_4_875.mol2 | 1gni | 1 | -6.56 | CC/C=C\CC | 6 |
Structure and binding mode of 1gni_ligand_4_875.mol2(FDBF00116)
Important binding residues for 1gni_ligand_4_875.mol2(FDBF00116)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1gni | LEU139 | -0.72 | -0.00 | -0.72 | 0.06 | -0.66 |
| 1gni | ILE142 | -0.52 | -0.02 | -0.54 | -0.14 | -0.67 |
| 1gni | LEU154 | -0.59 | -0.07 | -0.66 | 0.18 | -0.48 |
| 1gni | PHE157 | -0.69 | 0.11 | -0.58 | 0.05 | -0.53 |
| 1gni | TYR161 | -1.47 | 0.20 | -1.27 | 0.58 | -0.70 |
