Binding information for 1o4i_ligand_2_0.mol2(FDBF02108)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1o4i_ligand_2_0.mol2 | 1o4i | 1 | -5.59 | C(O)c1ccccc1O | 9 |
Structure and binding mode of 1o4i_ligand_2_0.mol2(FDBF02108)
Important binding residues for 1o4i_ligand_2_0.mol2(FDBF02108)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1o4i | ARG34 | -0.65 | -4.30 | -4.95 | 3.61 | -1.34 |
| 1o4i | TYR43 | -0.40 | -0.99 | -1.39 | 0.76 | -0.63 |
| 1o4i | HIS60 | -1.71 | -0.22 | -1.93 | 0.46 | -1.46 |
| 1o4i | LYS62 | -1.01 | -1.00 | -2.01 | 0.84 | -1.17 |
