Binding information for 2xz5_ligand_1_1.mol2(FDBF00630)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2xz5_ligand_1_1.mol2 | 2xz5 | 0.733333 | -5.89 | CCOC(=O)C | 6 |
Structure and binding mode of 2xz5_ligand_1_1.mol2(FDBF00630)
Important binding residues for 2xz5_ligand_1_1.mol2(FDBF00630)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2xz5 | TRP145 | -2.12 | -0.53 | -2.65 | 1.80 | -0.85 |
| 2xz5 | VAL146 | -0.88 | -0.05 | -0.93 | 0.28 | -0.66 |
| 2xz5 | CYS188 | -0.59 | 0.07 | -0.52 | 0.10 | -0.42 |
| 2xz5 | ILE116 | -1.05 | -0.09 | -1.14 | -0.01 | -1.15 |
