Binding information for 4l0i_ligand_1_0.mol2(FDBF05564)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4l0i_ligand_1_0.mol2 | 4l0i | 0.878788 | -6.89 | c1(ccccc1)C(=O)OCC | 11 |
Structure and binding mode of 4l0i_ligand_1_0.mol2(FDBF05564)
Important binding residues for 4l0i_ligand_1_0.mol2(FDBF05564)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4l0i | SER1033 | -0.73 | 0.03 | -0.7 | -0.02 | -0.72 |
| 4l0i | PRO1034 | -0.75 | 0.32 | -0.43 | -0.27 | -0.69 |
| 4l0i | TYR1050 | -1.66 | -0.92 | -2.58 | 1.09 | -1.49 |
| 4l0i | TYR1071 | -1.55 | -0.39 | -1.94 | 0.72 | -1.22 |
| 4l0i | GLY1074 | -0.35 | -0.27 | -0.62 | 0.25 | -0.37 |
| 4l0i | ILE1075 | -1.61 | -0.21 | -1.82 | 0.11 | -1.71 |
