Binding information for 2xei_ligand_4_3045.mol2(FDBF07655)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2xei_ligand_4_3045.mol2 | 2xei | 0.545455 | -5.37 | CCOCC | 5 |
Structure and binding mode of 2xei_ligand_4_3045.mol2(FDBF07655)
Important binding residues for 2xei_ligand_4_3045.mol2(FDBF07655)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2xei | TRP541 | -0.82 | 0.14 | -0.68 | 0.07 | -0.62 |
