Binding information for 4ega_ligand_1_2.mol2(FDBF00052)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4ega_ligand_1_2.mol2 | 4ega | 1 | -5.61 | S(C)C | 3 |
Structure and binding mode of 4ega_ligand_1_2.mol2(FDBF00052)
Important binding residues for 4ega_ligand_1_2.mol2(FDBF00052)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4ega | PRO247 | -0.60 | -0.78 | -1.38 | 0.47 | -0.91 |
| 4ega | ILE248 | -1.22 | -0.64 | -1.86 | 1.16 | -0.70 |
| 4ega | TRP474 | -0.90 | -0.53 | -1.43 | 0.84 | -0.59 |
| 4ega | ALA477 | -0.75 | 0.07 | -0.68 | -0.35 | -1.03 |
| 4ega | LEU478 | -0.81 | 0.00 | -0.81 | 0.13 | -0.67 |
| 4ega | HIS523 | -0.65 | -0.64 | -1.29 | 0.54 | -0.75 |
