Binding information for 1eld_ligand_3_80.mol2(FDBF01734)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1eld_ligand_3_80.mol2 | 1eld | 0.754386 | -6.78 | C(=O)N[C@@H](C)C(=O)Nc1ccccc1 | 14 |
Structure and binding mode of 1eld_ligand_3_80.mol2(FDBF01734)
Important binding residues for 1eld_ligand_3_80.mol2(FDBF01734)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1eld | VAL103 | -0.67 | -0.14 | -0.81 | -0.08 | -0.88 |
| 1eld | PHE223 | -1.37 | -1.52 | -2.89 | 0.51 | -2.38 |
| 1eld | SER225 | -1.07 | -1.01 | -2.08 | 1.26 | -0.81 |
| 1eld | ARG226 | -2.01 | -3.76 | -5.77 | 3.83 | -1.94 |
