Binding information for 3f3e_ligand_1_1.mol2(FDBF00007)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3f3e_ligand_1_1.mol2 | 3f3e | 1 | -6.51 | C(C)(C)C | 4 |
Structure and binding mode of 3f3e_ligand_1_1.mol2(FDBF00007)
Important binding residues for 3f3e_ligand_1_1.mol2(FDBF00007)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3f3e | SER355 | -0.73 | 0.01 | -0.72 | 0.40 | -0.32 |
| 3f3e | ILE359 | -0.79 | 0.01 | -0.78 | -0.01 | -0.79 |
