Binding information for 2uwo_ligand_1_2.mol2(FDBF02736)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2uwo_ligand_1_2.mol2 | 2uwo | 0.961538 | -5.70 | C(C)N1CCCC1=O | 8 |
Structure and binding mode of 2uwo_ligand_1_2.mol2(FDBF02736)
Important binding residues for 2uwo_ligand_1_2.mol2(FDBF02736)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2uwo | PHE174 | -0.75 | -0.05 | -0.8 | 0.27 | -0.53 |
| 2uwo | TRP215 | -1.09 | -2.08 | -3.17 | 1.41 | -1.76 |
| 2uwo | GLY216 | -0.70 | -1.42 | -2.12 | 1.27 | -0.85 |
| 2uwo | GLU217 | -1.03 | -1.65 | -2.68 | 1.75 | -0.93 |
