Binding information for 2xo8_ligand_frag_0.mol2(FDBF03634)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2xo8_ligand_frag_0.mol2 | 2xo8 | 1 | -6.49 | c1(c(ccc(c1)Cl)O)Cl | 9 |
Structure and binding mode of 2xo8_ligand_frag_0.mol2(FDBF03634)
Important binding residues for 2xo8_ligand_frag_0.mol2(FDBF03634)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2xo8 | LYS423 | -1.04 | -1.42 | -2.46 | 1.42 | -1.04 |
| 2xo8 | ALA424 | -1.68 | -0.12 | -1.8 | 0.03 | -1.77 |
| 2xo8 | LEU592 | -0.79 | -0.08 | -0.87 | 0.09 | -0.78 |
