Binding information for 2ha7_ligand_1_1.mol2(FDBF01326)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2ha7_ligand_1_1.mol2 | 2ha7 | 0.571429 | -5.69 | C(=O)(S)C | 4 |
Structure and binding mode of 2ha7_ligand_1_1.mol2(FDBF01326)
Important binding residues for 2ha7_ligand_1_1.mol2(FDBF01326)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2ha7 | TRP286 | -0.96 | -0.21 | -1.17 | 0.44 | -0.73 |
| 2ha7 | TYR341 | -1.32 | -0.26 | -1.58 | 0.34 | -1.24 |
