Binding information for 1sdu_ligand_1_2.mol2(FDBF00397)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1sdu_ligand_1_2.mol2 | 1sdu | 1 | -6.34 | C(=O)NC(C)(C)C | 7 |
Structure and binding mode of 1sdu_ligand_1_2.mol2(FDBF00397)
Important binding residues for 1sdu_ligand_1_2.mol2(FDBF00397)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1sdu | VAL32 | -0.68 | -0.26 | -0.94 | 0.49 | -0.45 |
| 1sdu | ILE47 | -0.85 | 0.25 | -0.6 | -0.21 | -0.81 |
| 1sdu | GLY49 | -0.63 | -1.30 | -1.93 | 0.99 | -0.94 |
| 1sdu | ILE84 | -0.53 | -0.04 | -0.57 | 0.03 | -0.54 |
| 1sdu | ILE150 | -1.29 | -0.43 | -1.72 | 0.20 | -1.53 |
