Binding information for 2viy_ligand_2_49.mol2(FDBF00729)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2viy_ligand_2_49.mol2 | 2viy | 1 | -5.82 | C([NH2+]CC)CO | 6 |
Structure and binding mode of 2viy_ligand_2_49.mol2(FDBF00729)
Important binding residues for 2viy_ligand_2_49.mol2(FDBF00729)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2viy | ASP93 | 0.70 | -45.09 | -44.39 | 41.45 | -2.95 |
| 2viy | GLY95 | -0.98 | -1.60 | -2.58 | 1.75 | -0.83 |
| 2viy | SER96 | -0.53 | 1.55 | 1.02 | -1.81 | -0.79 |
| 2viy | TYR132 | -0.92 | 2.95 | 2.03 | -2.42 | -0.39 |
| 2viy | ASP289 | 0.80 | -50.53 | -49.73 | 45.97 | -3.77 |
| 2viy | THR292 | -0.73 | 0.66 | -0.07 | -0.61 | -0.68 |
| 2viy | VAL393 | -0.32 | -17.46 | -17.78 | 17.35 | -0.42 |
