Binding information for 2wr8_ligand_1_4.mol2(FDBF00053)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2wr8_ligand_1_4.mol2 | 2wr8 | 1 | -6.65 | [C@@H]1(OC[C@@H]([C@@H]1O)O)C | 8 |
Structure and binding mode of 2wr8_ligand_1_4.mol2(FDBF00053)
Important binding residues for 2wr8_ligand_1_4.mol2(FDBF00053)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2wr8 | PHE181 | -0.81 | -0.16 | -0.97 | 0.16 | -0.82 |
| 2wr8 | TYR212 | -0.58 | -0.16 | -0.74 | 0.21 | -0.52 |
