Binding information for 5dit_ligand_3_363.mol2(FDBF04171)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 5dit_ligand_3_363.mol2 | 5dit | 1 | -5.02 | [NH+]1(CCOCC1)CCO | 9 |
Structure and binding mode of 5dit_ligand_3_363.mol2(FDBF04171)
Important binding residues for 5dit_ligand_3_363.mol2(FDBF04171)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 5dit | PHE79 | -0.92 | 2.45 | 1.53 | -2.15 | -0.61 |
| 5dit | GLN85 | -1.86 | -8.20 | -10.06 | 8.17 | -1.89 |
