Binding information for 1xk9_ligand_1_0.mol2(FDBF00001)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1xk9_ligand_1_0.mol2 | 1xk9 | 0.25 | -4.81 | C[NH+](C)C | 4 |
Structure and binding mode of 1xk9_ligand_1_0.mol2(FDBF00001)
Important binding residues for 1xk9_ligand_1_0.mol2(FDBF00001)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1xk9 | GLU486 | -0.03 | -34.35 | -34.38 | 33.99 | -0.39 |
