Binding information for 4zed_ligand_frag_9.mol2(FDBF00994)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4zed_ligand_frag_9.mol2 | 4zed | 0.785714 | -5.25 | C(O)O[C@@H]1COCC1 | 8 |
Structure and binding mode of 4zed_ligand_frag_9.mol2(FDBF00994)
Important binding residues for 4zed_ligand_frag_9.mol2(FDBF00994)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4zed | SER53 | -0.60 | 0.05 | -0.55 | -0.07 | -0.62 |
| 4zed | MET372 | -0.43 | -0.27 | -0.7 | 0.32 | -0.38 |
