Binding information for 1sdt_ligand_1_2.mol2(FDBF00397)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1sdt_ligand_1_2.mol2 | 1sdt | 1 | -6.35 | C(=O)NC(C)(C)C | 7 |
Structure and binding mode of 1sdt_ligand_1_2.mol2(FDBF00397)
Important binding residues for 1sdt_ligand_1_2.mol2(FDBF00397)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1sdt | ALA28 | -0.98 | 0.77 | -0.21 | -0.29 | -0.50 |
| 1sdt | VAL32 | -0.64 | -0.20 | -0.84 | 0.41 | -0.43 |
| 1sdt | ILE47 | -0.89 | 0.25 | -0.64 | -0.21 | -0.85 |
| 1sdt | GLY49 | -0.54 | -1.38 | -1.92 | 0.99 | -0.93 |
| 1sdt | ILE84 | -0.58 | -0.02 | -0.6 | 0.00 | -0.59 |
| 1sdt | ILE150 | -1.46 | -0.33 | -1.79 | 0.17 | -1.61 |
