Binding information for 1uz8_ligand_1_4.mol2(FDBF00454)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1uz8_ligand_1_4.mol2 | 1uz8 | 0.733333 | -5.57 | C1CCC[C@H](O1)CO | 8 |
Structure and binding mode of 1uz8_ligand_1_4.mol2(FDBF00454)
Important binding residues for 1uz8_ligand_1_4.mol2(FDBF00454)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1uz8 | VAL94 | -0.79 | -0.07 | -0.86 | 0.08 | -0.77 |
| 1uz8 | ASN58 | -0.34 | -1.18 | -1.52 | 0.44 | -1.08 |
