Binding information for 3blu_ligand_1_0.mol2(FDBF00322)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3blu_ligand_1_0.mol2 | 3blu | 1 | -5.88 | [S](O)(O)CC | 5 |
Structure and binding mode of 3blu_ligand_1_0.mol2(FDBF00322)
Important binding residues for 3blu_ligand_1_0.mol2(FDBF00322)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3blu | TYR261 | -0.05 | -14.55 | -14.6 | 14.21 | -0.39 |
| 3blu | GLU290 | -0.06 | -37.22 | -37.28 | 35.95 | -1.34 |
| 3blu | ASP356 | -0.61 | -38.55 | -39.16 | 36.03 | -3.13 |
| 3blu | THR358 | -0.05 | -19.81 | -19.86 | 19.47 | -0.39 |
