Binding information for 3fty_ligand_1_2.mol2(FDBF00023)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3fty_ligand_1_2.mol2 | 3fty | 1 | -7.12 | Cc1ccccc1 | 7 |
Structure and binding mode of 3fty_ligand_1_2.mol2(FDBF00023)
Important binding residues for 3fty_ligand_1_2.mol2(FDBF00023)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3fty | GLN136 | -1.28 | -1.09 | -2.37 | 1.09 | -1.28 |
| 3fty | ALA137 | -0.97 | -0.13 | -1.1 | 0.15 | -0.95 |
| 3fty | TRP311 | -0.92 | 0.11 | -0.81 | 0.31 | -0.51 |
| 3fty | PHE314 | -1.10 | -0.13 | -1.23 | 0.60 | -0.64 |
| 3fty | TYR378 | -1.46 | -0.41 | -1.87 | 0.42 | -1.44 |
