Binding information for 1dfo_ligand_3_15.mol2(FDBF01279)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1dfo_ligand_3_15.mol2 | 1dfo | 1 | -6.79 | N(c1ccc(cc1)C(=O)N)C | 11 |
Structure and binding mode of 1dfo_ligand_3_15.mol2(FDBF01279)
Important binding residues for 1dfo_ligand_3_15.mol2(FDBF01279)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1dfo | LEU121 | -0.82 | -0.37 | -1.19 | 0.30 | -0.90 |
| 1dfo | LEU127 | -1.45 | -0.08 | -1.53 | -0.22 | -1.76 |
| 1dfo | VAL133 | -0.67 | -0.44 | -1.11 | 0.34 | -0.77 |
| 1dfo | PRO356 | -1.10 | -0.68 | -1.78 | 0.64 | -1.14 |
| 1dfo | TYR64 | -2.57 | -0.08 | -2.65 | 0.91 | -1.74 |
| 1dfo | PRO258 | -0.79 | 0.20 | -0.59 | -0.19 | -0.78 |
