Binding information for 2fxr_ligand_1_11.mol2(FDBF03033)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2fxr_ligand_1_11.mol2 | 2fxr | 0.875 | -6.99 | C(=O)NC1Cc2ccccc2C1 | 12 |
Structure and binding mode of 2fxr_ligand_1_11.mol2(FDBF03033)
Important binding residues for 2fxr_ligand_1_11.mol2(FDBF03033)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2fxr | VAL35 | -1.73 | -0.37 | -2.1 | -0.22 | -2.32 |
| 2fxr | PHE41 | -1.31 | -0.10 | -1.41 | 0.03 | -1.38 |
| 2fxr | CYS58 | -0.67 | -2.11 | -2.78 | 2.08 | -0.70 |
| 2fxr | VAL59 | -0.64 | 0.08 | -0.56 | -0.02 | -0.57 |
| 2fxr | LYS60D | -1.90 | -0.15 | -2.05 | 0.97 | -1.08 |
| 2fxr | ALA63 | -0.61 | 0.56 | -0.05 | -0.47 | -0.53 |
| 2fxr | LEU64 | -0.84 | 0.15 | -0.69 | -0.08 | -0.77 |
