Binding information for 1o4k_ligand_2_0.mol2(FDBF02108)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1o4k_ligand_2_0.mol2 | 1o4k | 1 | -5.72 | Oc1c(CO)cccc1 | 9 |
Structure and binding mode of 1o4k_ligand_2_0.mol2(FDBF02108)
Important binding residues for 1o4k_ligand_2_0.mol2(FDBF02108)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1o4k | ARG34 | -0.68 | -3.92 | -4.6 | 3.24 | -1.35 |
| 1o4k | TYR43 | -0.33 | -1.05 | -1.38 | 0.81 | -0.57 |
| 1o4k | HIS60 | -1.93 | -0.11 | -2.04 | 0.29 | -1.74 |
| 1o4k | TYR61 | -0.99 | 0.09 | -0.9 | 0.51 | -0.39 |
| 1o4k | LYS62 | -1.65 | -1.89 | -3.54 | 1.46 | -2.08 |
