Binding information for 2ha0_ligand_2_0.mol2(FDBF00289)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2ha0_ligand_2_0.mol2 | 2ha0 | 1 | -5.89 | C([N+](C)(C)C)C | 6 |
Structure and binding mode of 2ha0_ligand_2_0.mol2(FDBF00289)
Important binding residues for 2ha0_ligand_2_0.mol2(FDBF00289)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2ha0 | TRP86 | -2.03 | -3.75 | -5.78 | 3.71 | -2.07 |
| 2ha0 | GLY121 | -0.63 | 1.74 | 1.11 | -1.50 | -0.39 |
