Binding information for 1gni_ligand_4_671.mol2(FDBF00085)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1gni_ligand_4_671.mol2 | 1gni | 1 | -6.45 | CCCCC=C | 6 |
Structure and binding mode of 1gni_ligand_4_671.mol2(FDBF00085)
Important binding residues for 1gni_ligand_4_671.mol2(FDBF00085)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1gni | LEU139 | -0.44 | -0.02 | -0.46 | 0.06 | -0.40 |
| 1gni | ILE142 | -0.54 | -0.01 | -0.55 | -0.12 | -0.67 |
| 1gni | TYR161 | -1.96 | 0.15 | -1.81 | 0.46 | -1.35 |
