Binding information for 4kax_ligand_frag_2.mol2(FDBF04868)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4kax_ligand_frag_2.mol2 | 4kax | 0.333333 | -5.54 | P(O)O | 3 |
Structure and binding mode of 4kax_ligand_frag_2.mol2(FDBF04868)
Important binding residues for 4kax_ligand_frag_2.mol2(FDBF04868)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4kax | ASP22 | -0.29 | 0.46 | 0.17 | -0.57 | -0.40 |
| 4kax | ALA23 | -0.59 | -0.58 | -1.17 | 0.53 | -0.64 |
| 4kax | ALA24 | -0.60 | -0.25 | -0.85 | 0.35 | -0.50 |
| 4kax | THR44 | -0.19 | 0.33 | 0.14 | -1.33 | -1.19 |
| 4kax | ASP63 | -0.17 | -1.30 | -1.47 | 0.76 | -0.71 |
