Binding information for 1d8e_ligand_3_0.mol2(FDBF00087)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1d8e_ligand_3_0.mol2 | 1d8e | 1 | -6.99 | C(C(C)C)CC=C(C)C | 9 |
Structure and binding mode of 1d8e_ligand_3_0.mol2(FDBF00087)
Important binding residues for 1d8e_ligand_3_0.mol2(FDBF00087)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1d8e | ARG202 | -1.64 | 0.00 | -1.64 | 0.36 | -1.28 |
| 1d8e | HIS248 | -0.49 | -0.07 | -0.56 | 0.23 | -0.33 |
| 1d8e | TYR251 | -0.77 | -0.06 | -0.83 | 0.37 | -0.47 |
| 1d8e | TRP303 | -2.41 | -0.17 | -2.58 | 1.22 | -1.36 |
