Binding information for 2ha7_ligand_2_4.mol2(FDBF01326)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2ha7_ligand_2_4.mol2 | 2ha7 | 0.4 | -5.61 | C(=O)(SC)C | 5 |
Structure and binding mode of 2ha7_ligand_2_4.mol2(FDBF01326)
Important binding residues for 2ha7_ligand_2_4.mol2(FDBF01326)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2ha7 | TRP286 | -1.56 | -0.03 | -1.59 | 0.40 | -1.19 |
| 2ha7 | TYR341 | -1.49 | -0.21 | -1.7 | 0.35 | -1.35 |
