Binding information for 2wuf_ligand_3_6.mol2(FDBF00743)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2wuf_ligand_3_6.mol2 | 2wuf | 1 | -6.14 | CCC(=O)CC | 6 |
Structure and binding mode of 2wuf_ligand_3_6.mol2(FDBF00743)
Important binding residues for 2wuf_ligand_3_6.mol2(FDBF00743)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2wuf | GLY44 | -0.30 | -1.18 | -1.48 | 1.02 | -0.45 |
| 2wuf | GLY45 | -0.82 | -2.30 | -3.12 | 2.14 | -0.99 |
| 2wuf | GLY46 | -0.58 | 0.19 | -0.39 | -0.19 | -0.57 |
| 2wuf | ALA114 | -0.43 | -0.94 | -1.37 | 0.63 | -0.73 |
| 2wuf | LEU115 | -0.25 | -2.19 | -2.44 | 1.17 | -1.26 |
| 2wuf | VAL155 | -0.31 | -0.03 | -0.34 | -0.03 | -0.37 |
