Binding information for 1ezf_ligand_1_5.mol2(FDBF03050)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1ezf_ligand_1_5.mol2 | 1ezf | 0.46988 | -6.84 | c12cc(ccc1N(C(=O)COC2)C)Cl | 14 |
Structure and binding mode of 1ezf_ligand_1_5.mol2(FDBF03050)
Important binding residues for 1ezf_ligand_1_5.mol2(FDBF03050)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1ezf | PHE54 | -0.99 | 0.16 | -0.83 | 0.13 | -0.71 |
| 1ezf | VAL69 | -0.39 | 0.04 | -0.35 | 0.03 | -0.32 |
| 1ezf | PHE72 | -0.72 | -0.30 | -1.02 | 0.30 | -0.72 |
| 1ezf | TYR73 | -2.07 | -0.52 | -2.59 | 0.89 | -1.71 |
| 1ezf | LEU76 | -0.85 | 0.14 | -0.71 | -0.11 | -0.81 |
| 1ezf | VAL179 | -1.02 | 0.08 | -0.94 | -0.21 | -1.15 |
| 1ezf | LEU183 | -0.54 | 0.04 | -0.5 | -0.11 | -0.62 |
| 1ezf | LEU211 | -0.86 | -0.04 | -0.9 | -0.11 | -1.02 |
| 1ezf | PHE288 | -0.57 | 0.22 | -0.35 | 0.02 | -0.33 |
| 1ezf | PRO292 | -0.74 | -0.15 | -0.89 | -0.02 | -0.92 |
