Binding information for 1ida_ligand_2_64.mol2(FDBF00669)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1ida_ligand_2_64.mol2 | 1ida | 0.972222 | -6.02 | C(=O)(N)[C@H]1[N@@H+](CCCC1)C | 10 |
Structure and binding mode of 1ida_ligand_2_64.mol2(FDBF00669)
Important binding residues for 1ida_ligand_2_64.mol2(FDBF00669)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1ida | ALA28 | -0.99 | 2.17 | 1.18 | -1.68 | -0.50 |
| 1ida | ILE50 | -0.82 | 0.86 | 0.04 | -0.98 | -0.94 |
| 1ida | ILE50 | -0.65 | -0.43 | -1.08 | 0.23 | -0.84 |
| 1ida | ILE82 | -0.59 | -0.29 | -0.88 | 0.27 | -0.61 |
| 1ida | ILE84 | -0.41 | 0.86 | 0.45 | -0.94 | -0.49 |
