Binding information for 4eg6_ligand_2_2.mol2(FDBF00055)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4eg6_ligand_2_2.mol2 | 4eg6 | 1 | -5.98 | C(SC)C | 4 |
Structure and binding mode of 4eg6_ligand_2_2.mol2(FDBF00055)
Important binding residues for 4eg6_ligand_2_2.mol2(FDBF00055)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4eg6 | PRO247 | -0.86 | -0.87 | -1.73 | 0.29 | -1.44 |
| 4eg6 | TRP474 | -0.93 | -0.45 | -1.38 | 0.98 | -0.40 |
| 4eg6 | ALA477 | -0.83 | 0.16 | -0.67 | -0.41 | -1.08 |
| 4eg6 | LEU478 | -0.81 | 0.01 | -0.8 | 0.12 | -0.68 |
| 4eg6 | HIS523 | -0.69 | -0.70 | -1.39 | 0.62 | -0.76 |
