Binding information for 2f3f_ligand_3_25.mol2(FDBF00031)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2f3f_ligand_3_25.mol2 | 2f3f | 1 | -6.22 | C(C)(C)C(=O)NC | 7 |
Structure and binding mode of 2f3f_ligand_3_25.mol2(FDBF00031)
Important binding residues for 2f3f_ligand_3_25.mol2(FDBF00031)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2f3f | GLY34 | -0.02 | -3.02 | -3.04 | 1.79 | -1.25 |
| 2f3f | SER35 | -0.64 | 0.13 | -0.51 | -0.04 | -0.55 |
| 2f3f | TYR71 | -1.58 | -2.36 | -3.94 | 1.27 | -2.68 |
| 2f3f | THR72 | -1.09 | -0.66 | -1.75 | 0.99 | -0.77 |
