Binding information for 3fum_ligand_2_0.mol2(FDBF02108)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3fum_ligand_2_0.mol2 | 3fum | 0.851852 | -7.02 | C(O)c1ccc(cc1)O | 9 |
Structure and binding mode of 3fum_ligand_2_0.mol2(FDBF02108)
Important binding residues for 3fum_ligand_2_0.mol2(FDBF02108)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3fum | GLN136 | -0.98 | -0.08 | -1.06 | 0.25 | -0.81 |
| 3fum | ALA137 | -0.76 | -0.74 | -1.5 | 0.55 | -0.94 |
| 3fum | TRP311 | -0.30 | -2.89 | -3.19 | 2.43 | -0.76 |
| 3fum | PHE314 | -1.83 | 0.56 | -1.27 | 0.22 | -1.04 |
| 3fum | ALA377 | -0.30 | 0.16 | -0.14 | -0.30 | -0.45 |
| 3fum | TYR378 | -1.00 | -0.25 | -1.25 | 0.34 | -0.91 |
