Binding information for 2viy_ligand_2_26.mol2(FDBF00042)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2viy_ligand_2_26.mol2 | 2viy | 1 | -5.94 | CC(O)C | 4 |
Structure and binding mode of 2viy_ligand_2_26.mol2(FDBF00042)
Important binding residues for 2viy_ligand_2_26.mol2(FDBF00042)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2viy | GLY95 | -0.62 | 1.13 | 0.51 | -1.25 | -0.73 |
| 2viy | SER96 | -0.42 | 0.30 | -0.12 | -0.26 | -0.38 |
| 2viy | TYR132 | -0.74 | -0.66 | -1.4 | 1.06 | -0.34 |
| 2viy | GLY291 | -0.66 | 0.31 | -0.35 | -0.31 | -0.66 |
