Binding information for 2ha7_ligand_1_2.mol2(FDBF01326)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2ha7_ligand_1_2.mol2 | 2ha7 | 0.666667 | -5.26 | C(=O)SC | 4 |
Structure and binding mode of 2ha7_ligand_1_2.mol2(FDBF01326)
Important binding residues for 2ha7_ligand_1_2.mol2(FDBF01326)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2ha7 | TRP286 | -1.49 | -0.11 | -1.6 | 0.48 | -1.12 |
| 2ha7 | TYR341 | -0.96 | -0.12 | -1.08 | 0.15 | -0.93 |
