Binding information for 2uxz_ligand_2_69.mol2(FDBF07598)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2uxz_ligand_2_69.mol2 | 2uxz | 0.961538 | -6.59 | C(C)(C)(C)CNC(=O)OC | 10 |
Structure and binding mode of 2uxz_ligand_2_69.mol2(FDBF07598)
Important binding residues for 2uxz_ligand_2_69.mol2(FDBF07598)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2uxz | ALA28 | -0.74 | -1.28 | -2.02 | 0.48 | -1.53 |
| 2uxz | ASP29 | -0.89 | 0.52 | -0.37 | -0.58 | -0.94 |
| 2uxz | ILE47 | -1.10 | 0.28 | -0.82 | -0.28 | -1.09 |
| 2uxz | GLY48 | -0.97 | -2.02 | -2.99 | 2.34 | -0.65 |
| 2uxz | ILE84 | -0.59 | 0.02 | -0.57 | -0.03 | -0.60 |
