Binding information for 2viv_ligand_1_5.mol2(FDBF00040)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2viv_ligand_1_5.mol2 | 2viv | 1 | -5.79 | CC[NH3+] | 3 |
Structure and binding mode of 2viv_ligand_1_5.mol2(FDBF00040)
Important binding residues for 2viv_ligand_1_5.mol2(FDBF00040)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2viv | ASP189 | 0.58 | -49.26 | -48.68 | 42.78 | -5.90 |
| 2viv | SER190 | 0.70 | -13.77 | -13.07 | 7.46 | -5.61 |
| 2viv | CYS191 | -0.51 | 0.06 | -0.45 | 0.04 | -0.41 |
| 2viv | ASP194 | -0.04 | -19.16 | -19.2 | 18.77 | -0.43 |
| 2viv | ARG217 | -0.26 | -9.87 | -10.13 | 9.03 | -1.10 |
| 2viv | GLY219 | 0.08 | 22.59 | 22.67 | -23.97 | -1.29 |
| 2viv | LEU222 | -0.04 | -18.67 | -18.71 | 18.39 | -0.32 |
