Binding information for 1v2u_ligand.mol2(FDBF01714)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1v2u_ligand.mol2 | 1v2u | 1 | -7.01 | c1(ccccc1)C(=[NH2+])N | 10 |
Structure and binding mode of 1v2u_ligand.mol2(FDBF01714)
Important binding residues for 1v2u_ligand.mol2(FDBF01714)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1v2u | ASP189 | 1.36 | -49.81 | -48.45 | 42.90 | -5.55 |
| 1v2u | SER190 | -0.76 | -7.88 | -8.64 | 5.11 | -3.53 |
| 1v2u | CYS191 | -1.49 | -1.10 | -2.59 | 0.97 | -1.62 |
| 1v2u | GLN192 | -1.08 | 1.84 | 0.76 | -1.52 | -0.76 |
| 1v2u | ASP194 | -0.24 | -19.32 | -19.56 | 19.10 | -0.46 |
| 1v2u | TRP215 | -1.53 | -2.04 | -3.57 | 1.95 | -1.62 |
| 1v2u | GLY216 | -1.12 | 0.97 | -0.15 | -0.27 | -0.42 |
| 1v2u | SER217 | -0.27 | -22.88 | -23.15 | 22.64 | -0.51 |
| 1v2u | GLY219 | 0.17 | 21.41 | 21.58 | -22.85 | -1.28 |
| 1v2u | CYS220 | -0.93 | 0.26 | -0.67 | -0.05 | -0.72 |
| 1v2u | TYR228 | -0.32 | -16.59 | -16.91 | 16.10 | -0.80 |
