Binding information for 1uh1_ligand_frag_3.mol2(FDBF00639)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1uh1_ligand_frag_3.mol2 | 1uh1 | 1 | -5.95 | C1[C@@H](C[C@H](CO1)O)O | 8 |
Structure and binding mode of 1uh1_ligand_frag_3.mol2(FDBF00639)
Important binding residues for 1uh1_ligand_frag_3.mol2(FDBF00639)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1uh1 | PHE47 | -0.67 | -0.25 | -0.92 | 0.37 | -0.55 |
| 1uh1 | TYR78 | -1.90 | -0.53 | -2.43 | 0.96 | -1.47 |
| 1uh1 | ILE120 | -0.17 | 0.07 | -0.1 | -0.46 | -0.56 |
| 1uh1 | GLY121 | -0.88 | -1.30 | -2.18 | 0.38 | -1.80 |
| 1uh1 | TYR122 | -1.47 | -1.75 | -3.22 | 1.33 | -1.89 |
