Binding information for 2wuf_ligand_2_4.mol2(FDBF00738)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2wuf_ligand_2_4.mol2 | 2wuf | 1 | -6.03 | CCC(=O)C | 5 |
Structure and binding mode of 2wuf_ligand_2_4.mol2(FDBF00738)
Important binding residues for 2wuf_ligand_2_4.mol2(FDBF00738)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2wuf | GLY44 | -0.30 | -1.18 | -1.48 | 1.00 | -0.48 |
| 2wuf | GLY45 | -0.69 | -2.32 | -3.01 | 2.06 | -0.95 |
| 2wuf | GLY46 | -0.54 | 0.19 | -0.35 | -0.19 | -0.54 |
| 2wuf | ALA114 | -0.40 | -0.93 | -1.33 | 0.61 | -0.72 |
| 2wuf | LEU115 | -0.12 | -2.21 | -2.33 | 1.17 | -1.16 |
