Binding information for 5aom_ligand_frag_0.mol2(FDBF01437)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 5aom_ligand_frag_0.mol2 | 5aom | 1 | -6.94 | Clc1ccc(cc1)O | 8 |
Structure and binding mode of 5aom_ligand_frag_0.mol2(FDBF01437)
Important binding residues for 5aom_ligand_frag_0.mol2(FDBF01437)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 5aom | TRP146 | -0.60 | 0.61 | 0.01 | -0.51 | -0.50 |
| 5aom | VAL147 | -0.84 | -0.06 | -0.9 | 0.23 | -0.68 |
| 5aom | THR150 | -0.62 | -0.34 | -0.96 | 0.43 | -0.53 |
| 5aom | PRO151 | -0.84 | -0.09 | -0.93 | 0.15 | -0.78 |
| 5aom | CYS220 | -0.65 | -0.24 | -0.89 | 0.22 | -0.67 |
| 5aom | PRO222 | -1.19 | 0.05 | -1.14 | -0.13 | -1.27 |
| 5aom | PRO223 | -0.63 | 0.05 | -0.58 | 0.06 | -0.53 |
| 5aom | CYS229 | -0.33 | -0.91 | -1.24 | -0.58 | -1.82 |
| 5aom | THR230 | -1.19 | -0.16 | -1.35 | 0.90 | -0.45 |
