Binding information for 1a7t_ligand_1_0.mol2(FDBF04162)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1a7t_ligand_1_0.mol2 | 1a7t | 1 | -5.53 | C[NH+]1CCOCC1 | 7 |
Structure and binding mode of 1a7t_ligand_1_0.mol2(FDBF04162)
Important binding residues for 1a7t_ligand_1_0.mol2(FDBF04162)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1a7t | ILE29 | -0.81 | 18.29 | 17.48 | -17.92 | -0.43 |
| 1a7t | TRP32 | -1.75 | -2.61 | -4.36 | 2.58 | -1.78 |
| 1a7t | ASP86 | -0.95 | -31.88 | -32.83 | 30.89 | -1.94 |
