Binding information for 3fty_ligand_2_2.mol2(FDBF00304)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3fty_ligand_2_2.mol2 | 3fty | 1 | -6.90 | C(c1ccccc1)O | 8 |
Structure and binding mode of 3fty_ligand_2_2.mol2(FDBF00304)
Important binding residues for 3fty_ligand_2_2.mol2(FDBF00304)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3fty | GLN136 | -1.29 | -0.94 | -2.23 | 0.98 | -1.25 |
| 3fty | ALA137 | -1.03 | 0.01 | -1.02 | 0.03 | -0.98 |
| 3fty | TRP311 | -1.25 | 0.47 | -0.78 | 0.14 | -0.64 |
| 3fty | PHE314 | -1.44 | -0.54 | -1.98 | 1.09 | -0.89 |
| 3fty | TYR378 | -1.50 | -0.56 | -2.06 | 0.54 | -1.53 |
