Binding information for 5dtj_ligand_2_20.mol2(FDBF01459)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 5dtj_ligand_2_20.mol2 | 5dtj | 0.727273 | -6.01 | CC[n+]1cc[nH]c1 | 7 |
Structure and binding mode of 5dtj_ligand_2_20.mol2(FDBF01459)
Important binding residues for 5dtj_ligand_2_20.mol2(FDBF01459)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 5dtj | TYR72 | -1.81 | -0.39 | -2.2 | 0.97 | -1.22 |
| 5dtj | TYR124 | -1.54 | -0.14 | -1.68 | 0.59 | -1.09 |
| 5dtj | TRP286 | -2.62 | -1.03 | -3.65 | 1.68 | -1.97 |
| 5dtj | PHE297 | -0.80 | -0.01 | -0.81 | 0.07 | -0.74 |
