Binding information for 2ze1_ligand_2_7.mol2(FDBF04390)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2ze1_ligand_2_7.mol2 | 2ze1 | 1 | -6.83 | c1(ccc(cc1)NC=O)[C@@H]1CCC[NH2+]1 | 14 |
Structure and binding mode of 2ze1_ligand_2_7.mol2(FDBF04390)
Important binding residues for 2ze1_ligand_2_7.mol2(FDBF04390)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2ze1 | LEU92 | -0.93 | 0.08 | -0.85 | 0.07 | -0.78 |
| 2ze1 | PHE170 | -0.88 | 0.33 | -0.55 | 0.08 | -0.46 |
| 2ze1 | TRP177 | -0.60 | 0.28 | -0.32 | -0.04 | -0.37 |
| 2ze1 | ILE180 | -0.86 | 0.07 | -0.79 | -0.17 | -0.96 |
| 2ze1 | GLY292 | -0.67 | -2.65 | -3.32 | 2.40 | -0.92 |
