Binding information for 1ezf_ligand_frag_0.mol2(FDBF03050)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1ezf_ligand_frag_0.mol2 | 1ezf | 0.46988 | -6.78 | c12cc(ccc1NC(=O)COC2)Cl | 13 |
Structure and binding mode of 1ezf_ligand_frag_0.mol2(FDBF03050)
Important binding residues for 1ezf_ligand_frag_0.mol2(FDBF03050)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1ezf | PHE54 | -0.98 | 0.15 | -0.83 | 0.12 | -0.71 |
| 1ezf | VAL69 | -0.38 | 0.04 | -0.34 | 0.03 | -0.32 |
| 1ezf | PHE72 | -0.72 | -0.29 | -1.01 | 0.29 | -0.72 |
| 1ezf | TYR73 | -2.03 | -0.49 | -2.52 | 0.81 | -1.71 |
| 1ezf | LEU76 | -0.82 | 0.16 | -0.66 | -0.13 | -0.79 |
| 1ezf | VAL179 | -0.97 | 0.08 | -0.89 | -0.17 | -1.06 |
| 1ezf | LEU183 | -0.53 | 0.05 | -0.48 | -0.12 | -0.60 |
| 1ezf | LEU211 | -0.80 | -0.02 | -0.82 | -0.13 | -0.94 |
| 1ezf | PHE288 | -0.57 | 0.20 | -0.37 | 0.03 | -0.33 |
| 1ezf | PRO292 | -0.74 | -0.13 | -0.87 | -0.04 | -0.91 |
