Binding information for 3fty_ligand_frag_3.mol2(FDBF00005)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3fty_ligand_frag_3.mol2 | 3fty | 1 | -6.77 | c1ccccc1 | 6 |
Structure and binding mode of 3fty_ligand_frag_3.mol2(FDBF00005)
Important binding residues for 3fty_ligand_frag_3.mol2(FDBF00005)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3fty | GLN136 | -1.25 | -1.09 | -2.34 | 1.09 | -1.25 |
| 3fty | ALA137 | -0.81 | -0.11 | -0.92 | 0.13 | -0.79 |
| 3fty | PHE314 | -0.84 | -0.16 | -1 | 0.58 | -0.43 |
| 3fty | TYR378 | -1.28 | -0.38 | -1.66 | 0.41 | -1.25 |
