Binding information for 4eg7_ligand_1_2.mol2(FDBF00052)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4eg7_ligand_1_2.mol2 | 4eg7 | 1 | -5.59 | S(C)C | 3 |
Structure and binding mode of 4eg7_ligand_1_2.mol2(FDBF00052)
Important binding residues for 4eg7_ligand_1_2.mol2(FDBF00052)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4eg7 | PRO247 | -0.59 | -0.73 | -1.32 | 0.40 | -0.92 |
| 4eg7 | ILE248 | -1.26 | -0.57 | -1.83 | 1.07 | -0.76 |
| 4eg7 | TRP474 | -0.69 | -0.56 | -1.25 | 0.90 | -0.34 |
| 4eg7 | ALA477 | -0.76 | 0.18 | -0.58 | -0.34 | -0.92 |
| 4eg7 | LEU478 | -0.80 | 0.01 | -0.79 | 0.10 | -0.69 |
| 4eg7 | HIS523 | -0.59 | -0.72 | -1.31 | 0.58 | -0.73 |
