Binding information for 1uk1_ligand_1_0.mol2(FDBF07463)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1uk1_ligand_1_0.mol2 | 1uk1 | 0.654762 | -7.36 | c1cc2c(c(c1)F)c(=O)[nH]c(=O)n2C | 14 |
Structure and binding mode of 1uk1_ligand_1_0.mol2(FDBF07463)
Important binding residues for 1uk1_ligand_1_0.mol2(FDBF07463)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1uk1 | HIS862 | -1.73 | -1.99 | -3.72 | 1.41 | -2.31 |
| 1uk1 | GLY863 | 0.68 | -4.95 | -4.27 | 1.79 | -2.48 |
| 1uk1 | SER864 | -0.30 | -0.00 | -0.3 | 0.00 | -0.31 |
| 1uk1 | TYR896 | -2.29 | 0.29 | -2 | 0.07 | -1.93 |
| 1uk1 | PHE897 | -1.04 | -0.94 | -1.98 | 0.87 | -1.11 |
| 1uk1 | LYS903 | -0.80 | 1.37 | 0.57 | -1.11 | -0.54 |
| 1uk1 | SER904 | -0.46 | -1.92 | -2.38 | 1.65 | -0.73 |
| 1uk1 | TYR907 | -3.94 | -0.23 | -4.17 | 1.06 | -3.11 |
