Binding information for 3ftu_ligand_2_0.mol2(FDBF03474)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3ftu_ligand_2_0.mol2 | 3ftu | 1 | -7.36 | CCc1ccc(cc1)O | 9 |
Structure and binding mode of 3ftu_ligand_2_0.mol2(FDBF03474)
Important binding residues for 3ftu_ligand_2_0.mol2(FDBF03474)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3ftu | GLN136 | -1.32 | -1.17 | -2.49 | 0.91 | -1.59 |
| 3ftu | ALA137 | -1.25 | -0.34 | -1.59 | 0.56 | -1.03 |
| 3ftu | TRP311 | -1.10 | 0.06 | -1.04 | 0.48 | -0.55 |
| 3ftu | PHE314 | -1.44 | -0.24 | -1.68 | 0.87 | -0.80 |
| 3ftu | ALA377 | -0.41 | 0.04 | -0.37 | -0.23 | -0.60 |
| 3ftu | TYR378 | -2.12 | -0.24 | -2.36 | 0.34 | -2.02 |
