Binding information for 2ha5_ligand_frag_3.mol2(FDBF01326)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2ha5_ligand_frag_3.mol2 | 2ha5 | 0.571429 | -5.70 | C(=O)(S)C | 4 |
Structure and binding mode of 2ha5_ligand_frag_3.mol2(FDBF01326)
Important binding residues for 2ha5_ligand_frag_3.mol2(FDBF01326)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2ha5 | GLY122 | -0.38 | -0.02 | -0.4 | -0.05 | -0.45 |
| 2ha5 | PHE297 | -0.43 | -0.54 | -0.97 | 0.62 | -0.34 |
| 2ha5 | HIS447 | -0.34 | -0.45 | -0.79 | 0.47 | -0.31 |
