Binding information for 2ze1_ligand_3_11.mol2(FDBF04390)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2ze1_ligand_3_11.mol2 | 2ze1 | 0.970149 | -6.92 | c1(ccc(cc1)NC=O)[C@@H]1CCC[N@@H+]1C | 15 |
Structure and binding mode of 2ze1_ligand_3_11.mol2(FDBF04390)
Important binding residues for 2ze1_ligand_3_11.mol2(FDBF04390)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2ze1 | LEU92 | -0.96 | 0.05 | -0.91 | 0.11 | -0.79 |
| 2ze1 | SER97 | -0.54 | 0.30 | -0.24 | -0.13 | -0.37 |
| 2ze1 | PHE170 | -0.95 | 0.33 | -0.62 | 0.12 | -0.50 |
| 2ze1 | TRP177 | -0.62 | 0.31 | -0.31 | -0.06 | -0.36 |
| 2ze1 | ILE180 | -1.02 | 0.07 | -0.95 | -0.18 | -1.13 |
| 2ze1 | GLY292 | -0.68 | -2.61 | -3.29 | 2.37 | -0.92 |
