Binding information for 2x2r_ligand_4_24.mol2(FDBF01022)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2x2r_ligand_4_24.mol2 | 2x2r | 0.923077 | -5.93 | C(C)[C@@H](C)CSC | 7 |
Structure and binding mode of 2x2r_ligand_4_24.mol2(FDBF01022)
Important binding residues for 2x2r_ligand_4_24.mol2(FDBF01022)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2x2r | TYR211 | -1.20 | -0.09 | -1.29 | 0.92 | -0.37 |
| 2x2r | LEU214 | -0.77 | 0.02 | -0.75 | 0.06 | -0.69 |
| 2x2r | GLU215 | -0.92 | -0.60 | -1.52 | 0.99 | -0.52 |
| 2x2r | ALA218 | -0.56 | 0.13 | -0.43 | -0.22 | -0.65 |
