Binding information for 1uvt_ligand_1_5.mol2(FDBF07599)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1uvt_ligand_1_5.mol2 | 1uvt | 0.875 | -6.64 | c1cc(cc(c1)N[S](O)O)C | 11 |
Structure and binding mode of 1uvt_ligand_1_5.mol2(FDBF07599)
Important binding residues for 1uvt_ligand_1_5.mol2(FDBF07599)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1uvt | TYR60A | -1.30 | -1.29 | -2.59 | 1.49 | -1.10 |
| 1uvt | TRP60D | -1.84 | -0.06 | -1.9 | 0.77 | -1.13 |
| 1uvt | LEU99 | -0.74 | 0.12 | -0.62 | -0.12 | -0.74 |
| 1uvt | TRP215 | -1.79 | 1.23 | -0.56 | -0.73 | -1.29 |
| 1uvt | GLY216 | -0.89 | -0.62 | -1.51 | 1.20 | -0.31 |
| 1uvt | GLU217 | -0.89 | -44.96 | -45.85 | 45.34 | -0.51 |
