Binding information for 1uvu_ligand_2_2.mol2(FDBF00190)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1uvu_ligand_2_2.mol2 | 1uvu | 1 | -5.63 | CCC(=O)OCC | 7 |
Structure and binding mode of 1uvu_ligand_2_2.mol2(FDBF00190)
Important binding residues for 1uvu_ligand_2_2.mol2(FDBF00190)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1uvu | TYR60A | -1.14 | -0.45 | -1.59 | 0.56 | -1.04 |
| 1uvu | TRP60D | -0.90 | -0.04 | -0.94 | 0.32 | -0.62 |
| 1uvu | LEU99 | -0.68 | 0.69 | 0.0099999999999999 | -0.63 | -0.61 |
| 1uvu | TRP215 | -0.71 | -0.41 | -1.12 | 0.43 | -0.69 |
