Binding information for 3bm8_ligand_1_2.mol2(FDBF00322)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3bm8_ligand_1_2.mol2 | 3bm8 | 1 | -5.73 | [S](O)(O)CC | 5 |
Structure and binding mode of 3bm8_ligand_1_2.mol2(FDBF00322)
Important binding residues for 3bm8_ligand_1_2.mol2(FDBF00322)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3bm8 | PHE229 | -0.14 | -13.65 | -13.79 | 13.36 | -0.42 |
| 3bm8 | ILE232 | -0.10 | -14.43 | -14.53 | 14.05 | -0.48 |
| 3bm8 | TYR261 | -0.05 | -14.33 | -14.38 | 13.83 | -0.55 |
| 3bm8 | GLU290 | -0.16 | -44.64 | -44.8 | 43.61 | -1.18 |
| 3bm8 | THR358 | -0.05 | -19.94 | -19.99 | 19.55 | -0.44 |
| 3bm8 | THR410 | -0.39 | 0.28 | -0.11 | -0.91 | -1.02 |
