Binding information for 2ha7_ligand_frag_2.mol2(FDBF01326)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2ha7_ligand_frag_2.mol2 | 2ha7 | 1 | -5.33 | C(=O)S | 3 |
Structure and binding mode of 2ha7_ligand_frag_2.mol2(FDBF01326)
Important binding residues for 2ha7_ligand_frag_2.mol2(FDBF01326)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2ha7 | TRP286 | -0.89 | -0.28 | -1.17 | 0.52 | -0.65 |
| 2ha7 | TYR341 | -0.82 | -0.18 | -1 | 0.13 | -0.88 |
