Binding information for 1uz8_ligand_2_3.mol2(FDBF07554)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1uz8_ligand_2_3.mol2 | 1uz8 | 0.557692 | -5.60 | [C@@H]1(CCC[C@H](O1)CO)OC | 10 |
Structure and binding mode of 1uz8_ligand_2_3.mol2(FDBF07554)
Important binding residues for 1uz8_ligand_2_3.mol2(FDBF07554)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1uz8 | VAL94 | -1.11 | -0.07 | -1.18 | 0.09 | -1.09 |
| 1uz8 | ASN58 | -0.36 | -1.18 | -1.54 | 0.44 | -1.10 |
