Binding information for 2ze1_ligand_1_1.mol2(FDBF04390)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2ze1_ligand_1_1.mol2 | 2ze1 | 0.707692 | -6.65 | c1(ccccc1)[C@@H]1CCC[NH2+]1 | 11 |
Structure and binding mode of 2ze1_ligand_1_1.mol2(FDBF04390)
Important binding residues for 2ze1_ligand_1_1.mol2(FDBF04390)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2ze1 | LEU92 | -0.56 | 0.20 | -0.36 | -0.11 | -0.46 |
| 2ze1 | PHE170 | -0.83 | -0.35 | -1.18 | 0.69 | -0.48 |
| 2ze1 | ILE180 | -0.81 | 0.01 | -0.8 | -0.10 | -0.91 |
