Binding information for 4eg5_ligand_1_2.mol2(FDBF00052)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4eg5_ligand_1_2.mol2 | 4eg5 | 1 | -5.58 | S(C)C | 3 |
Structure and binding mode of 4eg5_ligand_1_2.mol2(FDBF00052)
Important binding residues for 4eg5_ligand_1_2.mol2(FDBF00052)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4eg5 | PRO247 | -0.63 | -0.75 | -1.38 | 0.50 | -0.88 |
| 4eg5 | ILE248 | -0.87 | -0.57 | -1.44 | 1.14 | -0.31 |
| 4eg5 | TRP474 | -0.84 | -0.47 | -1.31 | 0.73 | -0.58 |
| 4eg5 | ALA477 | -0.75 | 0.15 | -0.6 | -0.30 | -0.89 |
| 4eg5 | LEU478 | -0.67 | -0.09 | -0.76 | 0.12 | -0.63 |
| 4eg5 | TYR481 | -0.66 | 0.03 | -0.63 | 0.27 | -0.36 |
| 4eg5 | HIS523 | -0.57 | -0.75 | -1.32 | 0.52 | -0.80 |
