Binding information for 3f3d_ligand_2_2.mol2(FDBF00057)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3f3d_ligand_2_2.mol2 | 3f3d | 1 | -5.91 | C(SC)C | 4 |
Structure and binding mode of 3f3d_ligand_2_2.mol2(FDBF00057)
Important binding residues for 3f3d_ligand_2_2.mol2(FDBF00057)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3f3d | PHE259 | -0.94 | -0.53 | -1.47 | 1.01 | -0.46 |
| 3f3d | SER355 | -0.86 | -0.22 | -1.08 | 0.58 | -0.50 |
| 3f3d | ALA358 | -0.20 | -0.07 | -0.27 | -0.08 | -0.35 |
| 3f3d | ILE359 | -0.66 | -0.21 | -0.87 | 0.10 | -0.78 |
