Binding information for 2x2r_ligand_2_7.mol2(FDBF01018)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2x2r_ligand_2_7.mol2 | 2x2r | 1 | -6.67 | c1(ccccc1)CS | 8 |
Structure and binding mode of 2x2r_ligand_2_7.mol2(FDBF01018)
Important binding residues for 2x2r_ligand_2_7.mol2(FDBF01018)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2x2r | ARG119 | -1.41 | -0.93 | -2.34 | 0.81 | -1.52 |
| 2x2r | TRP127 | -1.01 | -0.42 | -1.43 | 0.70 | -0.72 |
| 2x2r | ALA133 | -0.74 | -0.24 | -0.98 | -0.04 | -1.02 |
| 2x2r | PRO137 | -0.82 | -0.24 | -1.06 | 0.21 | -0.86 |
| 2x2r | TYR211 | -0.90 | -0.12 | -1.02 | 0.29 | -0.74 |
| 2x2r | LEU214 | -0.70 | 0.14 | -0.56 | -0.12 | -0.69 |
