Binding information for 2vie_ligand_4_992.mol2(FDBF07405)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2vie_ligand_4_992.mol2 | 2vie | 0.8 | -6.37 | C(C)(C)(CCC)[NH2+]C | 8 |
Structure and binding mode of 2vie_ligand_4_992.mol2(FDBF07405)
Important binding residues for 2vie_ligand_4_992.mol2(FDBF07405)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2vie | SER96 | -0.55 | 1.21 | 0.66 | -1.33 | -0.66 |
| 2vie | TYR132 | -1.28 | 3.66 | 2.38 | -2.74 | -0.36 |
| 2vie | ASP289 | 1.05 | -48.14 | -47.09 | 43.34 | -3.74 |
| 2vie | THR292 | -0.67 | 0.85 | 0.18 | -0.67 | -0.49 |
| 2vie | VAL393 | -0.41 | -17.22 | -17.63 | 17.10 | -0.53 |
