Binding information for 4ezl_ligand_2_0.mol2(FDBF04078)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4ezl_ligand_2_0.mol2 | 4ezl | 1 | -5.97 | C[N@H+]1CC[C@@H](CC1)C(C)(O)C | 11 |
Structure and binding mode of 4ezl_ligand_2_0.mol2(FDBF04078)
Important binding residues for 4ezl_ligand_2_0.mol2(FDBF04078)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4ezl | MET804 | -1.51 | 3.21 | 1.7 | -2.36 | -0.67 |
| 4ezl | TRP812 | -1.04 | -16.54 | -17.58 | 16.83 | -0.75 |
| 4ezl | THR887 | -0.53 | -1.00 | -1.53 | 1.05 | -0.48 |
