Binding information for 4eg6_ligand_1_2.mol2(FDBF00052)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4eg6_ligand_1_2.mol2 | 4eg6 | 1 | -5.60 | CSC | 3 |
Structure and binding mode of 4eg6_ligand_1_2.mol2(FDBF00052)
Important binding residues for 4eg6_ligand_1_2.mol2(FDBF00052)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4eg6 | PRO247 | -0.66 | -0.82 | -1.48 | 0.36 | -1.12 |
| 4eg6 | ILE248 | -1.24 | -0.55 | -1.79 | 1.12 | -0.68 |
| 4eg6 | TRP474 | -0.85 | -0.56 | -1.41 | 0.87 | -0.53 |
| 4eg6 | ALA477 | -0.79 | 0.16 | -0.63 | -0.38 | -1.01 |
| 4eg6 | LEU478 | -0.80 | 0.01 | -0.79 | 0.12 | -0.67 |
| 4eg6 | TYR481 | -0.63 | -0.11 | -0.74 | 0.43 | -0.31 |
| 4eg6 | HIS523 | -0.63 | -0.63 | -1.26 | 0.59 | -0.67 |
