Binding information for 1uvs_ligand_1_8.mol2(FDBF00372)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1uvs_ligand_1_8.mol2 | 1uvs | 1 | -6.01 | c1(ccncc1)N | 7 |
Structure and binding mode of 1uvs_ligand_1_8.mol2(FDBF00372)
Important binding residues for 1uvs_ligand_1_8.mol2(FDBF00372)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1uvs | CYS191 | -1.20 | -0.08 | -1.28 | 0.37 | -0.92 |
| 1uvs | VAL213 | -0.43 | 0.04 | -0.39 | -0.08 | -0.47 |
| 1uvs | TRP215 | -1.08 | -0.85 | -1.93 | 0.29 | -1.65 |
| 1uvs | GLY216 | -1.34 | -0.45 | -1.79 | 0.89 | -0.89 |
| 1uvs | CYS220 | -0.51 | -0.71 | -1.22 | 0.47 | -0.74 |
| 1uvs | GLY226 | -0.28 | -0.17 | -0.45 | 0.15 | -0.31 |
