Binding information for 1o4e_ligand_2_0.mol2(FDBF02108)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1o4e_ligand_2_0.mol2 | 1o4e | 0.892857 | -5.73 | C(O)c1cc(ccc1O)C | 10 |
Structure and binding mode of 1o4e_ligand_2_0.mol2(FDBF02108)
Important binding residues for 1o4e_ligand_2_0.mol2(FDBF02108)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1o4e | ARG14 | -0.51 | -0.96 | -1.47 | 0.98 | -0.49 |
| 1o4e | ARG34 | -0.73 | -3.64 | -4.37 | 2.97 | -1.40 |
| 1o4e | TYR43 | -0.40 | -1.16 | -1.56 | 0.83 | -0.73 |
| 1o4e | TYR61 | -1.23 | 0.07 | -1.16 | 0.83 | -0.33 |
| 1o4e | LYS62 | -1.28 | -2.91 | -4.19 | 2.02 | -2.17 |
