Binding information for 2izx_ligand.mol2(FDBF00136)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2izx_ligand.mol2 | 2izx | 0.472222 | -6.10 | S1C[C@H](O)[C@@H](O)CS1 | 9 |
Structure and binding mode of 2izx_ligand.mol2(FDBF00136)
Important binding residues for 2izx_ligand.mol2(FDBF00136)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2izx | GLN23 | 0.12 | -9.05 | -8.93 | 6.34 | -2.59 |
| 2izx | PHE31 | -1.61 | 0.84 | -0.77 | -0.12 | -0.89 |
| 2izx | GLU34 | -0.98 | 0.63 | -0.35 | -0.74 | -1.09 |
| 2izx | TYR35 | -1.19 | -0.03 | -1.22 | 0.20 | -1.02 |
| 2izx | ARG38 | -1.99 | -0.79 | -2.78 | 1.94 | -0.84 |
