Binding information for 2xfk_ligand_1_4.mol2(FDBF00024)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2xfk_ligand_1_4.mol2 | 2xfk | 1 | -5.54 | C(=O)NC | 4 |
Structure and binding mode of 2xfk_ligand_1_4.mol2(FDBF00024)
Important binding residues for 2xfk_ligand_1_4.mol2(FDBF00024)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2xfk | TYR132 | -0.98 | -1.21 | -2.19 | 0.78 | -1.41 |
| 2xfk | GLN134 | -0.67 | -1.44 | -2.11 | 0.54 | -1.57 |
| 2xfk | GLY291 | 0.06 | -2.86 | -2.8 | 2.02 | -0.78 |
| 2xfk | THR292 | -0.73 | 0.05 | -0.68 | 0.35 | -0.32 |
