Binding information for 2ha2_ligand_2_0.mol2(FDBF00103)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2ha2_ligand_2_0.mol2 | 2ha2 | 1 | -5.77 | CCOC(=O)C | 6 |
Structure and binding mode of 2ha2_ligand_2_0.mol2(FDBF00103)
Important binding residues for 2ha2_ligand_2_0.mol2(FDBF00103)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2ha2 | TRP86 | -1.00 | -0.53 | -1.53 | 0.59 | -0.95 |
| 2ha2 | TYR337 | -1.63 | -0.10 | -1.73 | 1.38 | -0.35 |
| 2ha2 | PHE338 | -0.64 | 0.03 | -0.61 | -0.04 | -0.65 |
| 2ha2 | TYR341 | -0.78 | -0.06 | -0.84 | 0.28 | -0.55 |
