Binding information for 2xfk_ligand_3_203.mol2(FDBF00143)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2xfk_ligand_3_203.mol2 | 2xfk | 1 | -7.32 | C(=O)NCCc1ccccc1 | 11 |
Structure and binding mode of 2xfk_ligand_3_203.mol2(FDBF00143)
Important binding residues for 2xfk_ligand_3_203.mol2(FDBF00143)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2xfk | LEU91 | -0.68 | 0.81 | 0.13 | -0.78 | -0.64 |
| 2xfk | TYR132 | -1.90 | -1.04 | -2.94 | 1.03 | -1.91 |
| 2xfk | GLN134 | -1.45 | -1.69 | -3.14 | 1.70 | -1.44 |
| 2xfk | PHE169 | -1.41 | -0.42 | -1.83 | 1.11 | -0.71 |
| 2xfk | ILE179 | -0.71 | 0.06 | -0.65 | -0.16 | -0.80 |
| 2xfk | GLY291 | -0.60 | -2.30 | -2.9 | 1.97 | -0.94 |
| 2xfk | THR292 | -0.87 | 0.08 | -0.79 | 0.45 | -0.34 |
