Binding information for 1xk9_ligand_frag_0.mol2(FDBF00001)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1xk9_ligand_frag_0.mol2 | 1xk9 | 0.25 | -4.77 | C[NH2+]C | 3 |
Structure and binding mode of 1xk9_ligand_frag_0.mol2(FDBF00001)
Important binding residues for 1xk9_ligand_frag_0.mol2(FDBF00001)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1xk9 | GLU486 | -0.02 | -34.51 | -34.53 | 34.10 | -0.43 |
