Binding information for 4eg4_ligand_1_2.mol2(FDBF00052)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4eg4_ligand_1_2.mol2 | 4eg4 | 1 | -5.60 | CSC | 3 |
Structure and binding mode of 4eg4_ligand_1_2.mol2(FDBF00052)
Important binding residues for 4eg4_ligand_1_2.mol2(FDBF00052)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4eg4 | PRO247 | -0.57 | -0.74 | -1.31 | 0.43 | -0.88 |
| 4eg4 | ILE248 | -1.27 | -0.52 | -1.79 | 1.03 | -0.76 |
| 4eg4 | TRP474 | -0.85 | -0.55 | -1.4 | 0.89 | -0.51 |
| 4eg4 | ALA477 | -0.79 | 0.23 | -0.56 | -0.36 | -0.92 |
| 4eg4 | LEU478 | -0.74 | 0.00 | -0.74 | 0.11 | -0.63 |
| 4eg4 | TYR481 | -0.63 | 0.01 | -0.62 | 0.21 | -0.40 |
| 4eg4 | HIS523 | -0.61 | -0.69 | -1.3 | 0.57 | -0.74 |
