Binding information for 3fum_ligand_1_0.mol2(FDBF00006)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3fum_ligand_1_0.mol2 | 3fum | 1 | -6.78 | c1cc(ccc1)O | 7 |
Structure and binding mode of 3fum_ligand_1_0.mol2(FDBF00006)
Important binding residues for 3fum_ligand_1_0.mol2(FDBF00006)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3fum | GLN136 | -0.95 | 0.01 | -0.94 | 0.22 | -0.73 |
| 3fum | ALA137 | -0.69 | -0.65 | -1.34 | 0.58 | -0.76 |
| 3fum | TRP311 | -0.90 | -0.10 | -1 | 0.55 | -0.45 |
| 3fum | PHE314 | -1.39 | 0.07 | -1.32 | 0.49 | -0.83 |
| 3fum | ALA377 | -0.21 | 0.08 | -0.13 | -0.24 | -0.36 |
| 3fum | TYR378 | -0.88 | -0.18 | -1.06 | 0.27 | -0.79 |
