Binding information for 1ezf_ligand_2_9.mol2(FDBF03050)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1ezf_ligand_2_9.mol2 | 1ezf | 0.45614 | -7.17 | C[C@@H]1C(=O)N(c2c(cc(cc2)Cl)CO1)C | 15 |
Structure and binding mode of 1ezf_ligand_2_9.mol2(FDBF03050)
Important binding residues for 1ezf_ligand_2_9.mol2(FDBF03050)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1ezf | PHE54 | -1.44 | 0.07 | -1.37 | 0.23 | -1.14 |
| 1ezf | VAL69 | -0.39 | 0.05 | -0.34 | 0.01 | -0.32 |
| 1ezf | PHE72 | -0.73 | -0.30 | -1.03 | 0.30 | -0.73 |
| 1ezf | TYR73 | -2.12 | -0.55 | -2.67 | 0.91 | -1.76 |
| 1ezf | LEU76 | -0.85 | 0.13 | -0.72 | -0.10 | -0.82 |
| 1ezf | VAL179 | -1.03 | 0.07 | -0.96 | -0.20 | -1.15 |
| 1ezf | LEU183 | -0.53 | 0.02 | -0.51 | -0.10 | -0.61 |
| 1ezf | LEU211 | -0.93 | -0.07 | -1 | -0.08 | -1.07 |
| 1ezf | PHE288 | -0.59 | 0.19 | -0.4 | 0.09 | -0.31 |
| 1ezf | PRO292 | -1.05 | -0.13 | -1.18 | -0.03 | -1.21 |
