Binding information for 4zeb_ligand_1_2.mol2(FDBF00994)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4zeb_ligand_1_2.mol2 | 4zeb | 1 | -5.41 | [C@@H]1([C@H](CCO1)O)O | 7 |
Structure and binding mode of 4zeb_ligand_1_2.mol2(FDBF00994)
Important binding residues for 4zeb_ligand_1_2.mol2(FDBF00994)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4zeb | SER53 | -0.37 | 0.15 | -0.22 | -0.14 | -0.37 |
| 4zeb | TRP418 | -0.68 | 0.38 | -0.3 | -0.07 | -0.37 |
