Binding information for 2xfk_ligand_2_42.mol2(FDBF07653)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2xfk_ligand_2_42.mol2 | 2xfk | 0.642857 | -5.87 | C(=O)NCC | 5 |
Structure and binding mode of 2xfk_ligand_2_42.mol2(FDBF07653)
Important binding residues for 2xfk_ligand_2_42.mol2(FDBF07653)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2xfk | TYR132 | -1.17 | -1.17 | -2.34 | 0.91 | -1.43 |
| 2xfk | GLN134 | -0.73 | -1.44 | -2.17 | 0.60 | -1.57 |
| 2xfk | GLY291 | -0.19 | -2.78 | -2.97 | 2.03 | -0.94 |
| 2xfk | THR292 | -0.78 | 0.07 | -0.71 | 0.39 | -0.33 |
