Binding information for 2viy_ligand_frag_8.mol2(FDBF00283)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2viy_ligand_frag_8.mol2 | 2viy | 1 | -5.14 | S(=O)O | 3 |
Structure and binding mode of 2viy_ligand_frag_8.mol2(FDBF00283)
Important binding residues for 2viy_ligand_frag_8.mol2(FDBF00283)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2viy | THR133 | -0.27 | -0.60 | -0.87 | 0.55 | -0.32 |
| 2viy | THR292 | -0.64 | 0.07 | -0.57 | -0.26 | -0.83 |
| 2viy | THR293 | -0.67 | -0.03 | -0.7 | -0.27 | -0.97 |
| 2viy | ASN294 | -0.43 | 0.16 | -0.27 | -0.09 | -0.37 |
| 2viy | ARG296 | -0.30 | -2.79 | -3.09 | 2.47 | -0.62 |
