Binding information for 2x2r_ligand_2_0.mol2(FDBF01018)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2x2r_ligand_2_0.mol2 | 2x2r | 1 | -6.57 | SCc1ccccc1 | 8 |
Structure and binding mode of 2x2r_ligand_2_0.mol2(FDBF01018)
Important binding residues for 2x2r_ligand_2_0.mol2(FDBF01018)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2x2r | ILE136 | -0.72 | 0.12 | -0.6 | -0.12 | -0.72 |
| 2x2r | PRO137 | -0.64 | 0.07 | -0.57 | 0.09 | -0.48 |
| 2x2r | LEU214 | -1.61 | -0.68 | -2.29 | 0.46 | -1.82 |
| 2x2r | ALA218 | -0.36 | 0.16 | -0.2 | -0.24 | -0.44 |
| 2x2r | ARG221 | -0.33 | -1.65 | -1.98 | 1.14 | -0.83 |
