Binding information for 1eld_ligand_1_0.mol2(FDBF00844)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1eld_ligand_1_0.mol2 | 1eld | 1 | -5.82 | C(=O)(N)C(F)(F)F | 7 |
Structure and binding mode of 1eld_ligand_1_0.mol2(FDBF00844)
Important binding residues for 1eld_ligand_1_0.mol2(FDBF00844)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1eld | CYS199 | -0.38 | -0.38 | -0.76 | 0.44 | -0.32 |
| 1eld | ASP202 | -0.50 | 1.15 | 0.65 | -1.18 | -0.53 |
| 1eld | THR221 | -0.39 | -0.29 | -0.68 | 0.34 | -0.34 |
| 1eld | SER222 | -0.49 | -1.72 | -2.21 | 1.80 | -0.41 |
| 1eld | VAL224 | -0.74 | -0.29 | -1.03 | 0.29 | -0.74 |
