Binding information for 2oz2_ligand_1_0.mol2(FDBF07635)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2oz2_ligand_1_0.mol2 | 2oz2 | 0.447368 | -5.63 | CNC(=O)N1CC[NH+](CC1)C | 11 |
Structure and binding mode of 2oz2_ligand_1_0.mol2(FDBF07635)
Important binding residues for 2oz2_ligand_1_0.mol2(FDBF07635)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2oz2 | TRP26 | -0.39 | 0.67 | 0.28 | -0.60 | -0.32 |
| 2oz2 | GLY65 | -1.32 | 0.17 | -1.15 | 0.82 | -0.34 |
| 2oz2 | GLY66 | -1.52 | -3.26 | -4.78 | 2.47 | -2.30 |
| 2oz2 | LEU67 | -1.15 | -0.38 | -1.53 | 0.20 | -1.33 |
| 2oz2 | ASP161 | -0.62 | -13.35 | -13.97 | 13.54 | -0.44 |
| 2oz2 | HIS162 | -0.37 | -1.23 | -1.6 | 1.30 | -0.31 |
