Binding information for 4eg4_ligand_2_2.mol2(FDBF00057)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4eg4_ligand_2_2.mol2 | 4eg4 | 1 | -5.99 | CCSC | 4 |
Structure and binding mode of 4eg4_ligand_2_2.mol2(FDBF00057)
Important binding residues for 4eg4_ligand_2_2.mol2(FDBF00057)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4eg4 | PRO247 | -0.76 | -0.78 | -1.54 | 0.37 | -1.18 |
| 4eg4 | TRP474 | -0.92 | -0.44 | -1.36 | 0.99 | -0.37 |
| 4eg4 | ALA477 | -0.83 | 0.22 | -0.61 | -0.39 | -1.00 |
| 4eg4 | LEU478 | -0.76 | 0.01 | -0.75 | 0.11 | -0.64 |
| 4eg4 | TYR481 | -0.64 | 0.10 | -0.54 | 0.22 | -0.33 |
| 4eg4 | ILE519 | -0.65 | 0.56 | -0.09 | -0.26 | -0.34 |
| 4eg4 | HIS523 | -0.67 | -0.75 | -1.42 | 0.59 | -0.83 |
