Binding information for 2f3f_ligand_4_30.mol2(FDBF00234)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2f3f_ligand_4_30.mol2 | 2f3f | 1 | -6.53 | C(C)(C)C(=O)NCC | 8 |
Structure and binding mode of 2f3f_ligand_4_30.mol2(FDBF00234)
Important binding residues for 2f3f_ligand_4_30.mol2(FDBF00234)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2f3f | GLY34 | -0.22 | -2.86 | -3.08 | 1.84 | -1.24 |
| 2f3f | SER35 | -0.88 | 0.14 | -0.74 | 0.07 | -0.66 |
| 2f3f | TYR71 | -1.69 | -2.36 | -4.05 | 1.30 | -2.75 |
| 2f3f | THR72 | -1.10 | -0.67 | -1.77 | 1.00 | -0.77 |
| 2f3f | ILE126 | -0.56 | -0.04 | -0.6 | 0.13 | -0.46 |
