Binding information for 4ea2_ligand_2_1.mol2(FDBF00123)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4ea2_ligand_2_1.mol2 | 4ea2 | 1 | -6.49 | CCC=C(C)C | 6 |
Structure and binding mode of 4ea2_ligand_2_1.mol2(FDBF00123)
Important binding residues for 4ea2_ligand_2_1.mol2(FDBF00123)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4ea2 | PHE22 | -0.90 | -0.05 | -0.95 | 0.46 | -0.49 |
| 4ea2 | ALA134 | -0.56 | -0.12 | -0.68 | 0.05 | -0.63 |
| 4ea2 | VAL137 | -0.70 | 0.05 | -0.65 | -0.28 | -0.93 |
| 4ea2 | GLY138 | -0.59 | 0.09 | -0.5 | 0.03 | -0.47 |
| 4ea2 | LEU141 | -0.62 | -0.03 | -0.65 | -0.00 | -0.66 |
| 4ea2 | LEU160 | -0.30 | 0.07 | -0.23 | -0.14 | -0.37 |
| 4ea2 | GLY161 | -0.98 | 0.03 | -0.95 | 0.07 | -0.89 |
| 4ea2 | LEU164 | -1.15 | -0.10 | -1.25 | -0.04 | -1.29 |
