Binding information for 2fde_ligand_frag_13.mol2(FDBF01310)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2fde_ligand_frag_13.mol2 | 2fde | 0.617021 | -5.19 | c1nc(sc1)C | 6 |
Structure and binding mode of 2fde_ligand_frag_13.mol2(FDBF01310)
Important binding residues for 2fde_ligand_frag_13.mol2(FDBF01310)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2fde | GLY48 | -0.85 | -0.29 | -1.14 | 0.49 | -0.65 |
| 2fde | PHE53 | -0.74 | 0.14 | -0.6 | 0.04 | -0.56 |
