Binding information for 1xdg_ligand_3_90.mol2(FDBF00706)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1xdg_ligand_3_90.mol2 | 1xdg | 0.633803 | -5.50 | N1[C@H](C[C@H](OC1=O)CC)C | 10 |
Structure and binding mode of 1xdg_ligand_3_90.mol2(FDBF00706)
Important binding residues for 1xdg_ligand_3_90.mol2(FDBF00706)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1xdg | VAL233 | -0.31 | -0.32 | -0.63 | 0.22 | -0.41 |
