Binding information for 1ele_ligand_frag_1.mol2(FDBF00177)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1ele_ligand_frag_1.mol2 | 1ele | 1 | -5.37 | C(F)(F)F | 4 |
Structure and binding mode of 1ele_ligand_frag_1.mol2(FDBF00177)
Important binding residues for 1ele_ligand_frag_1.mol2(FDBF00177)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1ele | ASP202 | -0.34 | 0.69 | 0.35 | -0.73 | -0.37 |
| 1ele | THR221 | -0.09 | -0.38 | -0.47 | 0.08 | -0.39 |
