Binding information for 3fum_ligand_1_1.mol2(FDBF00304)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3fum_ligand_1_1.mol2 | 3fum | 1 | -7.05 | C(O)c1ccccc1 | 8 |
Structure and binding mode of 3fum_ligand_1_1.mol2(FDBF00304)
Important binding residues for 3fum_ligand_1_1.mol2(FDBF00304)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3fum | GLN136 | -0.63 | -0.36 | -0.99 | 0.32 | -0.66 |
| 3fum | ALA137 | -0.58 | -0.39 | -0.97 | 0.14 | -0.84 |
| 3fum | TRP311 | -0.26 | -2.78 | -3.04 | 2.33 | -0.71 |
| 3fum | PHE314 | -1.77 | 0.66 | -1.11 | 0.18 | -0.93 |
| 3fum | ALA377 | -0.30 | 0.20 | -0.1 | -0.36 | -0.46 |
| 3fum | TYR378 | -0.84 | -0.50 | -1.34 | 0.44 | -0.90 |
