Binding information for 4rz1_ligand_2_57.mol2(FDBF00826)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4rz1_ligand_2_57.mol2 | 4rz1 | 0.666667 | -5.72 | O(C)CC | 4 |
Structure and binding mode of 4rz1_ligand_2_57.mol2(FDBF00826)
Important binding residues for 4rz1_ligand_2_57.mol2(FDBF00826)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4rz1 | GLN13 | -0.94 | -1.33 | -2.27 | 0.35 | -1.92 |
| 4rz1 | TYR14 | -1.13 | -1.07 | -2.2 | 0.88 | -1.32 |
| 4rz1 | VAL30 | -0.70 | 0.02 | -0.68 | -0.13 | -0.80 |
| 4rz1 | PHE117 | -0.46 | -0.08 | -0.54 | 0.16 | -0.38 |
| 4rz1 | SER219 | -0.63 | -0.39 | -1.02 | 0.57 | -0.46 |
