Binding information for 2oz2_ligand_frag_0.mol2(FDBF07635)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2oz2_ligand_frag_0.mol2 | 2oz2 | 0.485714 | -5.48 | C1C[NH+](CCN1C(=O)N)C | 10 |
Structure and binding mode of 2oz2_ligand_frag_0.mol2(FDBF07635)
Important binding residues for 2oz2_ligand_frag_0.mol2(FDBF07635)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2oz2 | GLY65 | -1.24 | 0.05 | -1.19 | 0.82 | -0.37 |
| 2oz2 | GLY66 | -1.29 | -2.79 | -4.08 | 2.23 | -1.85 |
| 2oz2 | LEU67 | -1.07 | -0.38 | -1.45 | 0.23 | -1.23 |
| 2oz2 | ASP161 | -0.28 | -13.00 | -13.28 | 12.95 | -0.32 |
