Binding information for 3aru_ligand_2_0.mol2(FDBF00738)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3aru_ligand_2_0.mol2 | 3aru | 1 | -6.02 | CCC(=O)C | 5 |
Structure and binding mode of 3aru_ligand_2_0.mol2(FDBF00738)
Important binding residues for 3aru_ligand_2_0.mol2(FDBF00738)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3aru | PHE316 | -0.59 | 0.84 | 0.25 | -0.91 | -0.65 |
| 3aru | GLY367 | -0.23 | -1.05 | -1.28 | 0.77 | -0.50 |
| 3aru | TYR435 | -1.60 | -0.13 | -1.73 | 0.25 | -1.48 |
