Binding information for 2viz_ligand_2_63.mol2(FDBF00729)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2viz_ligand_2_63.mol2 | 2viz | 1 | -5.81 | C(O)C[NH2+]CC | 6 |
Structure and binding mode of 2viz_ligand_2_63.mol2(FDBF00729)
Important binding residues for 2viz_ligand_2_63.mol2(FDBF00729)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2viz | ASP93 | 0.43 | -44.23 | -43.8 | 41.17 | -2.63 |
| 2viz | GLY95 | -1.03 | -1.48 | -2.51 | 1.62 | -0.89 |
| 2viz | SER96 | -0.53 | 1.54 | 1.01 | -1.80 | -0.79 |
| 2viz | TYR132 | -0.94 | 2.95 | 2.01 | -2.44 | -0.43 |
| 2viz | ASP289 | 0.74 | -51.07 | -50.33 | 46.45 | -3.89 |
| 2viz | THR292 | -0.73 | 0.44 | -0.29 | -0.40 | -0.69 |
| 2viz | VAL393 | -0.35 | 0.95 | 0.6 | -0.90 | -0.31 |
