Binding information for 1gni_ligand_4_966.mol2(FDBF00085)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1gni_ligand_4_966.mol2 | 1gni | 1 | -6.45 | C(CC=C)CC | 6 |
Structure and binding mode of 1gni_ligand_4_966.mol2(FDBF00085)
Important binding residues for 1gni_ligand_4_966.mol2(FDBF00085)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1gni | TYR138 | -0.49 | -0.09 | -0.58 | 0.05 | -0.53 |
| 1gni | LEU139 | -0.65 | 0.00 | -0.65 | 0.07 | -0.58 |
| 1gni | ILE142 | -0.18 | -0.01 | -0.19 | -0.16 | -0.34 |
| 1gni | LEU154 | -0.90 | -0.04 | -0.94 | 0.19 | -0.75 |
| 1gni | PHE157 | -1.24 | 0.08 | -1.16 | 0.13 | -1.03 |
| 1gni | TYR161 | -1.62 | 0.09 | -1.53 | 0.96 | -0.56 |
