Binding information for 4eeh_ligand_frag_0.mol2(FDBF06669)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4eeh_ligand_frag_0.mol2 | 4eeh | 0.35 | -6.62 | c12c[nH+][nH]c1cc(cc2)O | 10 |
Structure and binding mode of 4eeh_ligand_frag_0.mol2(FDBF06669)
Important binding residues for 4eeh_ligand_frag_0.mol2(FDBF06669)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4eeh | LEU48 | -0.62 | 0.05 | -0.57 | 0.19 | -0.37 |
| 4eeh | ASN51 | -1.93 | -2.23 | -4.16 | 1.27 | -2.90 |
| 4eeh | SER52 | -0.95 | -0.68 | -1.63 | 1.05 | -0.59 |
| 4eeh | ALA55 | -0.25 | -0.08 | -0.33 | -0.07 | -0.40 |
| 4eeh | MET98 | -1.16 | -0.41 | -1.57 | 0.30 | -1.27 |
| 4eeh | LEU107 | -0.47 | -0.35 | -0.82 | 0.44 | -0.38 |
| 4eeh | PHE138 | -0.80 | -0.38 | -1.18 | 0.31 | -0.86 |
| 4eeh | THR184 | -1.45 | -1.55 | -3 | 1.37 | -1.63 |
