Binding information for 1sgu_ligand_1_2.mol2(FDBF00397)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1sgu_ligand_1_2.mol2 | 1sgu | 1 | -6.34 | C(=O)NC(C)(C)C | 7 |
Structure and binding mode of 1sgu_ligand_1_2.mol2(FDBF00397)
Important binding residues for 1sgu_ligand_1_2.mol2(FDBF00397)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1sgu | ILE32 | -0.57 | -0.00 | -0.57 | -0.01 | -0.58 |
| 1sgu | ILE47 | -0.61 | 0.27 | -0.34 | -0.17 | -0.52 |
| 1sgu | GLY49 | -0.53 | -0.92 | -1.45 | 0.82 | -0.63 |
| 1sgu | VAL84 | -0.40 | -0.07 | -0.47 | 0.04 | -0.42 |
| 1sgu | ILE50 | -0.60 | -0.92 | -1.52 | 0.67 | -0.85 |
