Binding information for 1o4d_ligand_2_0.mol2(FDBF02108)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1o4d_ligand_2_0.mol2 | 1o4d | 1 | -5.57 | c1cccc(c1CO)O | 9 |
Structure and binding mode of 1o4d_ligand_2_0.mol2(FDBF02108)
Important binding residues for 1o4d_ligand_2_0.mol2(FDBF02108)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1o4d | ARG34 | -0.62 | -4.18 | -4.8 | 3.57 | -1.23 |
| 1o4d | TYR43 | -0.45 | -1.38 | -1.83 | 1.07 | -0.76 |
| 1o4d | LYS62 | -1.47 | -1.45 | -2.92 | 1.15 | -1.76 |
