Binding information for 1v2v_ligand.mol2(FDBF01714)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1v2v_ligand.mol2 | 1v2v | 1 | -7.01 | c1(ccccc1)C(=[NH2+])N | 10 |
Structure and binding mode of 1v2v_ligand.mol2(FDBF01714)
Important binding residues for 1v2v_ligand.mol2(FDBF01714)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1v2v | ASP189 | 1.58 | -50.26 | -48.68 | 43.18 | -5.50 |
| 1v2v | SER190 | -1.08 | -8.03 | -9.11 | 5.18 | -3.93 |
| 1v2v | CYS191 | -1.60 | -1.06 | -2.66 | 0.82 | -1.84 |
| 1v2v | ASP194 | -0.24 | -19.35 | -19.59 | 19.09 | -0.50 |
| 1v2v | TRP215 | -1.49 | -1.71 | -3.2 | 1.60 | -1.60 |
| 1v2v | GLY216 | -1.24 | 0.63 | -0.61 | 0.12 | -0.49 |
| 1v2v | SER217 | -0.30 | -23.57 | -23.87 | 23.37 | -0.50 |
| 1v2v | GLY219 | 0.15 | 21.60 | 21.75 | -22.44 | -0.69 |
| 1v2v | CYS220 | -0.94 | 0.33 | -0.61 | -0.15 | -0.77 |
| 1v2v | TYR228 | -0.26 | -16.06 | -16.32 | 15.73 | -0.58 |
