Binding information for 1rhu_ligand_3_55.mol2(FDBF06778)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1rhu_ligand_3_55.mol2 | 1rhu | 0.169492 | -5.02 | C(O)CSC | 5 |
Structure and binding mode of 1rhu_ligand_3_55.mol2(FDBF06778)
Important binding residues for 1rhu_ligand_3_55.mol2(FDBF06778)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1rhu | MET176 | -0.59 | 0.35 | -0.24 | -0.63 | -0.87 |
| 1rhu | ARG179 | -0.15 | 0.20 | 0.05 | -0.52 | -0.48 |
| 1rhu | HIS237 | 2.76 | -5.64 | -2.88 | 2.01 | -0.87 |
| 1rhu | ALA284 | -0.17 | -0.80 | -0.97 | 0.15 | -0.82 |
