Binding information for 4dxg_ligand_1_8.mol2(FDBF00454)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4dxg_ligand_1_8.mol2 | 4dxg | 0.735294 | -5.24 | C(O)[C@@H]1CCC[C@H](O1)O | 9 |
Structure and binding mode of 4dxg_ligand_1_8.mol2(FDBF00454)
Important binding residues for 4dxg_ligand_1_8.mol2(FDBF00454)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4dxg | GLN179 | -1.16 | 0.22 | -0.94 | 0.37 | -0.57 |
| 4dxg | ASN181 | -1.00 | -2.14 | -3.14 | 1.66 | -1.47 |
| 4dxg | ARG182 | -1.33 | 1.27 | -0.06 | -0.97 | -1.02 |
