Binding information for 2aux_ligand_2_26.mol2(FDBF00906)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2aux_ligand_2_26.mol2 | 2aux | 1 | -5.60 | NC(=O)OCC | 6 |
Structure and binding mode of 2aux_ligand_2_26.mol2(FDBF00906)
Important binding residues for 2aux_ligand_2_26.mol2(FDBF00906)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2aux | TRP26 | -0.60 | -1.23 | -1.83 | 0.99 | -0.84 |
| 2aux | GLY65 | -0.50 | -1.87 | -2.37 | 1.01 | -1.36 |
| 2aux | ASN161 | -0.37 | -3.14 | -3.51 | 2.18 | -1.33 |
| 2aux | HIS162 | -0.74 | -0.39 | -1.13 | 0.48 | -0.65 |
