Binding information for 1a7x_ligand_3_97.mol2(FDBF05618)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1a7x_ligand_3_97.mol2 | 1a7x | 0.727273 | -5.09 | C(C)OC(=O)NC | 7 |
Structure and binding mode of 1a7x_ligand_3_97.mol2(FDBF05618)
Important binding residues for 1a7x_ligand_3_97.mol2(FDBF05618)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1a7x | ILE56 | -0.50 | 0.05 | -0.45 | -0.12 | -0.57 |
| 1a7x | TYR82 | -1.46 | 0.16 | -1.3 | 0.16 | -1.14 |
| 1a7x | GLY83 | -0.36 | 0.39 | 0.03 | -0.39 | -0.36 |
