Binding information for 1gni_ligand_5_1876.mol2(FDBF00118)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1gni_ligand_5_1876.mol2 | 1gni | 1 | -6.74 | C(C/C=C\CC)C | 7 |
Structure and binding mode of 1gni_ligand_5_1876.mol2(FDBF00118)
Important binding residues for 1gni_ligand_5_1876.mol2(FDBF00118)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1gni | LEU139 | -0.75 | -0.00 | -0.75 | 0.07 | -0.68 |
| 1gni | ILE142 | -0.24 | -0.01 | -0.25 | -0.17 | -0.42 |
| 1gni | LEU154 | -0.73 | -0.06 | -0.79 | 0.20 | -0.60 |
| 1gni | PHE157 | -0.89 | 0.10 | -0.79 | 0.08 | -0.71 |
| 1gni | TYR161 | -2.09 | 0.23 | -1.86 | 0.91 | -0.95 |
