Binding information for 2ze1_ligand_1_0.mol2(FDBF04390)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2ze1_ligand_1_0.mol2 | 2ze1 | 0.707692 | -6.91 | c1ccc(cc1)[C@@H]1CCC[NH2+]1 | 11 |
Structure and binding mode of 2ze1_ligand_1_0.mol2(FDBF04390)
Important binding residues for 2ze1_ligand_1_0.mol2(FDBF04390)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2ze1 | SER97 | -0.68 | -0.05 | -0.73 | 0.09 | -0.65 |
| 2ze1 | VAL131 | -1.04 | -0.05 | -1.09 | -0.09 | -1.19 |
| 2ze1 | TRP138 | -1.63 | -0.31 | -1.94 | 1.13 | -0.81 |
| 2ze1 | ILE180 | -0.34 | 0.08 | -0.26 | -0.17 | -0.43 |
