Binding information for 2xel_ligand_frag_1.mol2(FDBF03634)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2xel_ligand_frag_1.mol2 | 2xel | 1 | -6.60 | c1cc(Cl)cc(c1O)Cl | 9 |
Structure and binding mode of 2xel_ligand_frag_1.mol2(FDBF03634)
Important binding residues for 2xel_ligand_frag_1.mol2(FDBF03634)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2xel | ALA424 | -0.78 | -0.53 | -1.31 | 0.45 | -0.86 |
| 2xel | ARG428 | -1.66 | -1.92 | -3.58 | 2.88 | -0.70 |
| 2xel | LEU592 | -0.98 | -0.09 | -1.07 | 0.09 | -0.98 |
