Binding information for 1uvt_ligand_1_0.mol2(FDBF00372)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1uvt_ligand_1_0.mol2 | 1uvt | 1 | -6.17 | n1ccc(cc1)N | 7 |
Structure and binding mode of 1uvt_ligand_1_0.mol2(FDBF00372)
Important binding residues for 1uvt_ligand_1_0.mol2(FDBF00372)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1uvt | ALA190 | -1.20 | 0.71 | -0.49 | -0.15 | -0.64 |
| 1uvt | CYS191 | -0.93 | 0.00 | -0.93 | 0.36 | -0.57 |
| 1uvt | SER195 | -0.32 | -0.38 | -0.7 | 0.25 | -0.46 |
| 1uvt | VAL213 | -0.52 | 0.13 | -0.39 | -0.17 | -0.56 |
| 1uvt | SER214 | 0.21 | -3.89 | -3.68 | 2.40 | -1.29 |
| 1uvt | TRP215 | -1.10 | -1.06 | -2.16 | 0.68 | -1.48 |
| 1uvt | GLY216 | -1.22 | -0.44 | -1.66 | 0.67 | -0.99 |
| 1uvt | CYS220 | -0.59 | -0.64 | -1.23 | 0.29 | -0.94 |
