Binding information for 3cwe_ligand_3_15.mol2(FDBF00737)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3cwe_ligand_3_15.mol2 | 3cwe | 1 | -5.87 | [C@@H](c1ccccc1)(C=O)C | 10 |
Structure and binding mode of 3cwe_ligand_3_15.mol2(FDBF00737)
Important binding residues for 3cwe_ligand_3_15.mol2(FDBF00737)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3cwe | TYR546 | -1.69 | -0.77 | -2.46 | 1.20 | -1.25 |
| 3cwe | PHE682 | -0.80 | -0.21 | -1.01 | 0.24 | -0.77 |
