Binding information for 1xoz_ligand_frag_1.mol2(FDBF07116)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1xoz_ligand_frag_1.mol2 | 1xoz | 0.804348 | -6.75 | c1ccc2OCOc2c1 | 9 |
Structure and binding mode of 1xoz_ligand_frag_1.mol2(FDBF07116)
Important binding residues for 1xoz_ligand_frag_1.mol2(FDBF07116)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1xoz | VAL782 | -0.66 | -0.21 | -0.87 | -0.12 | -1.00 |
| 1xoz | ALA783 | -0.85 | -0.03 | -0.88 | 0.25 | -0.64 |
| 1xoz | PHE786 | -1.09 | -0.10 | -1.19 | 0.19 | -0.99 |
| 1xoz | PHE787 | -0.47 | -0.25 | -0.72 | 0.24 | -0.48 |
| 1xoz | LEU804 | -1.55 | -0.79 | -2.34 | 0.82 | -1.51 |
| 1xoz | ILE813 | -0.87 | -0.61 | -1.48 | 0.25 | -1.23 |
| 1xoz | MET816 | -1.16 | -0.18 | -1.34 | 0.56 | -0.78 |
| 1xoz | GLN817 | -1.90 | -1.04 | -2.94 | 1.57 | -1.36 |
| 1xoz | PHE820 | -0.48 | 0.03 | -0.45 | -0.03 | -0.47 |
