Binding information for 3cwe_ligand_2_6.mol2(FDBF00737)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3cwe_ligand_2_6.mol2 | 3cwe | 1 | -5.57 | C(c1ccccc1)C=O | 9 |
Structure and binding mode of 3cwe_ligand_2_6.mol2(FDBF00737)
Important binding residues for 3cwe_ligand_2_6.mol2(FDBF00737)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3cwe | TYR546 | -1.38 | -0.70 | -2.08 | 0.99 | -1.10 |
| 3cwe | PHE682 | -0.72 | -0.20 | -0.92 | 0.22 | -0.69 |
