Binding information for 4ezk_ligand_1_1.mol2(FDBF02150)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4ezk_ligand_1_1.mol2 | 4ezk | 1 | -5.83 | [NH2+]1CCC(CC1)C(O)(C)C | 10 |
Structure and binding mode of 4ezk_ligand_1_1.mol2(FDBF02150)
Important binding residues for 4ezk_ligand_1_1.mol2(FDBF02150)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4ezk | MET804 | -1.35 | 1.03 | -0.32 | -0.75 | -1.07 |
| 4ezk | TRP812 | -0.94 | -16.86 | -17.8 | 17.18 | -0.63 |
| 4ezk | THR887 | -0.20 | -1.94 | -2.14 | 1.81 | -0.33 |
