Binding information for 2w26_ligand_2_3.mol2(FDBF01342)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2w26_ligand_2_3.mol2 | 2w26 | 0.853333 | -7.01 | c1(ccccc1)N1C(=O)O[C@@H](C)C1 | 13 |
Structure and binding mode of 2w26_ligand_2_3.mol2(FDBF01342)
Important binding residues for 2w26_ligand_2_3.mol2(FDBF01342)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2w26 | GLU147 | -0.15 | 1.99 | 1.84 | -2.18 | -0.34 |
| 2w26 | PHE174 | -0.63 | -0.29 | -0.92 | 0.38 | -0.54 |
| 2w26 | TRP215 | -1.84 | -0.05 | -1.89 | 0.38 | -1.52 |
| 2w26 | GLU217 | -1.27 | 8.68 | 7.41 | -8.72 | -1.31 |
| 2w26 | CYS220 | -0.36 | 0.07 | -0.29 | -0.20 | -0.49 |
