Binding information for 2ozr_ligand_frag_0.mol2(FDBF07463)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2ozr_ligand_frag_0.mol2 | 2ozr | 0.739726 | -7.02 | n1(c2c(c(=O)[nH]c1=O)cccc2)C | 13 |
Structure and binding mode of 2ozr_ligand_frag_0.mol2(FDBF07463)
Important binding residues for 2ozr_ligand_frag_0.mol2(FDBF07463)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2ozr | LEU197 | -1.11 | -0.21 | -1.32 | 0.18 | -1.14 |
| 2ozr | LEU218 | -0.96 | -0.08 | -1.04 | 0.03 | -1.00 |
| 2ozr | TYR225 | -0.76 | -1.22 | -1.98 | 0.82 | -1.16 |
| 2ozr | THR226 | -1.62 | -1.89 | -3.51 | 1.67 | -1.84 |
| 2ozr | PHE231 | -2.75 | -0.58 | -3.33 | 0.86 | -2.48 |
| 2ozr | LEU233 | -0.31 | 0.27 | -0.04 | -0.31 | -0.35 |
| 2ozr | PRO234 | -0.84 | -1.65 | -2.49 | 1.94 | -0.55 |
