Binding information for 4og8_ligand_1_0.mol2(FDBF03202)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4og8_ligand_1_0.mol2 | 4og8 | 0.857143 | -6.46 | c1cc(ccc1O)C#N | 9 |
Structure and binding mode of 4og8_ligand_1_0.mol2(FDBF03202)
Important binding residues for 4og8_ligand_1_0.mol2(FDBF03202)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4og8 | TYR319 | -1.02 | -0.04 | -1.06 | 0.29 | -0.76 |
| 4og8 | MET322 | -1.95 | -0.07 | -2.02 | 0.13 | -1.89 |
| 4og8 | TYR323 | -1.25 | 0.09 | -1.16 | 0.16 | -1.00 |
| 4og8 | ALA325 | -0.42 | -0.31 | -0.73 | 0.02 | -0.71 |
| 4og8 | GLY326 | -0.70 | 0.51 | -0.19 | -0.30 | -0.49 |
| 4og8 | TRP341 | -0.46 | -0.79 | -1.25 | 0.39 | -0.86 |
