Binding information for 2xz5_ligand_frag_2.mol2(FDBF00101)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2xz5_ligand_frag_2.mol2 | 2xz5 | 1 | -5.60 | COC(=O)C | 5 |
Structure and binding mode of 2xz5_ligand_frag_2.mol2(FDBF00101)
Important binding residues for 2xz5_ligand_frag_2.mol2(FDBF00101)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2xz5 | TRP145 | -1.72 | -0.60 | -2.32 | 1.77 | -0.54 |
| 2xz5 | VAL146 | -0.86 | -0.06 | -0.92 | 0.27 | -0.65 |
| 2xz5 | CYS188 | -0.46 | 0.10 | -0.36 | 0.02 | -0.34 |
| 2xz5 | ILE116 | -0.94 | -0.10 | -1.04 | -0.02 | -1.05 |
