Binding information for 2xae_ligand_2_11.mol2(FDBF01018)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2xae_ligand_2_11.mol2 | 2xae | 1 | -6.59 | c1ccccc1CS | 8 |
Structure and binding mode of 2xae_ligand_2_11.mol2(FDBF01018)
Important binding residues for 2xae_ligand_2_11.mol2(FDBF01018)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2xae | ARG119 | -1.73 | 0.01 | -1.72 | -0.24 | -1.96 |
| 2xae | TRP127 | -0.90 | -0.48 | -1.38 | 0.74 | -0.65 |
| 2xae | ALA133 | -0.68 | -0.18 | -0.86 | -0.06 | -0.92 |
| 2xae | PRO137 | -0.93 | -0.24 | -1.17 | 0.18 | -0.99 |
| 2xae | TYR211 | -0.54 | -0.12 | -0.66 | 0.32 | -0.35 |
| 2xae | LEU214 | -0.67 | 0.22 | -0.45 | -0.22 | -0.68 |
