Binding information for 4tkj_ligand_4_490.mol2(FDBF00116)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4tkj_ligand_4_490.mol2 | 4tkj | 1 | -6.40 | CC/C=C/CC | 6 |
Structure and binding mode of 4tkj_ligand_4_490.mol2(FDBF00116)
Important binding residues for 4tkj_ligand_4_490.mol2(FDBF00116)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4tkj | MET20 | -0.79 | 0.02 | -0.77 | 0.14 | -0.64 |
| 4tkj | ALA33 | -0.63 | -0.08 | -0.71 | -0.04 | -0.75 |
| 4tkj | PHE57 | -0.55 | -0.04 | -0.59 | 0.15 | -0.45 |
| 4tkj | ALA75 | -0.69 | -0.07 | -0.76 | 0.02 | -0.74 |
| 4tkj | ASP76 | -0.60 | -0.01 | -0.61 | 0.20 | -0.42 |
