Binding information for 1xdg_ligand_4_145.mol2(FDBF00704)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1xdg_ligand_4_145.mol2 | 1xdg | 0.633803 | -5.54 | CN1[C@H](C[C@H](OC1=O)CC)C | 11 |
Structure and binding mode of 1xdg_ligand_4_145.mol2(FDBF00704)
Important binding residues for 1xdg_ligand_4_145.mol2(FDBF00704)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1xdg | VAL233 | -0.32 | -0.34 | -0.66 | 0.22 | -0.43 |
| 1xdg | ILE255 | -0.19 | -3.92 | -4.11 | 3.69 | -0.42 |
