Binding information for 1v2j_ligand.mol2(FDBF01714)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1v2j_ligand.mol2 | 1v2j | 1 | -7.01 | c1(ccccc1)C(=[NH2+])N | 10 |
Structure and binding mode of 1v2j_ligand.mol2(FDBF01714)
Important binding residues for 1v2j_ligand.mol2(FDBF01714)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1v2j | ASP189 | 1.21 | -50.18 | -48.97 | 43.02 | -5.95 |
| 1v2j | SER190 | -1.04 | -7.92 | -8.96 | 5.07 | -3.89 |
| 1v2j | CYS191 | -1.56 | -1.02 | -2.58 | 0.80 | -1.77 |
| 1v2j | ASP194 | -0.25 | -19.34 | -19.59 | 19.08 | -0.51 |
| 1v2j | TRP215 | -1.48 | -1.84 | -3.32 | 1.76 | -1.57 |
| 1v2j | GLY216 | -1.22 | 0.17 | -1.05 | 0.52 | -0.54 |
| 1v2j | SER217 | -0.26 | -23.29 | -23.55 | 23.03 | -0.52 |
| 1v2j | GLY219 | 0.51 | 21.52 | 22.03 | -22.90 | -0.87 |
| 1v2j | CYS220 | -0.92 | 0.29 | -0.63 | -0.09 | -0.72 |
| 1v2j | TYR228 | -0.26 | -15.92 | -16.18 | 15.58 | -0.60 |
