Binding information for 2ha4_ligand.mol2(FDBF00191)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2ha4_ligand.mol2 | 2ha4 | 0.666667 | -5.87 | [N+](CCOC(=O)C)(C)(C)C | 11 |
Structure and binding mode of 2ha4_ligand.mol2(FDBF00191)
Important binding residues for 2ha4_ligand.mol2(FDBF00191)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2ha4 | TRP286 | -1.96 | -3.37 | -5.33 | 3.54 | -1.79 |
| 2ha4 | PHE297 | -0.42 | 0.85 | 0.43 | -0.92 | -0.48 |
| 2ha4 | PHE338 | -0.65 | -1.06 | -1.71 | 1.14 | -0.57 |
| 2ha4 | TYR341 | -1.83 | -1.57 | -3.4 | 2.08 | -1.32 |
