Binding information for 5eds_ligand_frag_2.mol2(FDBF00565)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 5eds_ligand_frag_2.mol2 | 5eds | 0.392157 | -6.48 | [nH+]1c2cc(F)ccc2[nH]c1 | 10 |
Structure and binding mode of 5eds_ligand_frag_2.mol2(FDBF00565)
Important binding residues for 5eds_ligand_frag_2.mol2(FDBF00565)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 5eds | VAL803 | -0.58 | 0.05 | -0.53 | 0.06 | -0.48 |
| 5eds | MET804 | -2.14 | -0.06 | -2.2 | 0.53 | -1.68 |
| 5eds | PRO810 | -0.38 | -0.49 | -0.87 | 0.55 | -0.32 |
| 5eds | TRP812 | -1.72 | -0.38 | -2.1 | 0.40 | -1.70 |
| 5eds | ILE831 | -1.22 | -0.05 | -1.27 | -0.03 | -1.30 |
