Binding information for 1xuc_ligand_1_3.mol2(FDBF00024)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1xuc_ligand_1_3.mol2 | 1xuc | 1 | -5.49 | CNC=O | 4 |
Structure and binding mode of 1xuc_ligand_1_3.mol2(FDBF00024)
Important binding residues for 1xuc_ligand_1_3.mol2(FDBF00024)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1xuc | LEU218 | -0.55 | -0.34 | -0.89 | 0.23 | -0.66 |
| 1xuc | PHE241 | -0.71 | -0.43 | -1.14 | 0.76 | -0.38 |
| 1xuc | TYR244 | -0.81 | -1.37 | -2.18 | 0.55 | -1.63 |
| 1xuc | THR245 | 0.23 | -3.35 | -3.12 | 1.41 | -1.71 |
