Binding information for 3fum_ligand_3_7.mol2(FDBF01159)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3fum_ligand_3_7.mol2 | 3fum | 0.75 | -7.14 | CCOc1ccccc1 | 9 |
Structure and binding mode of 3fum_ligand_3_7.mol2(FDBF01159)
Important binding residues for 3fum_ligand_3_7.mol2(FDBF01159)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3fum | ALA137 | -0.89 | -0.51 | -1.4 | 0.52 | -0.88 |
| 3fum | TRP311 | -0.95 | -0.00 | -0.95 | 0.43 | -0.52 |
| 3fum | PHE314 | -1.54 | 0.13 | -1.41 | 0.45 | -0.96 |
| 3fum | ALA377 | -0.21 | 0.07 | -0.14 | -0.25 | -0.39 |
| 3fum | TYR378 | -1.33 | -0.31 | -1.64 | 0.47 | -1.17 |
