Binding information for 4ezl_ligand_1_0.mol2(FDBF02150)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4ezl_ligand_1_0.mol2 | 4ezl | 1 | -5.88 | C1(CC[NH2+]CC1)C(C)(O)C | 10 |
Structure and binding mode of 4ezl_ligand_1_0.mol2(FDBF02150)
Important binding residues for 4ezl_ligand_1_0.mol2(FDBF02150)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4ezl | MET804 | -1.46 | 3.27 | 1.81 | -2.34 | -0.52 |
| 4ezl | TRP812 | -0.95 | -16.84 | -17.79 | 16.91 | -0.88 |
