sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
1.700 Å
X-ray
2007-09-26
| Name: | Lactoylglutathione lyase |
|---|---|
| ID: | LGUL_MOUSE |
| AC: | Q9CPU0 |
| Organism: | Mus musculus |
| Reign: | Eukaryota |
| TaxID: | 10090 |
| EC Number: | 4.4.1.5 |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 52 % |
| B | 48 % |
| B-Factor: | 14.494 |
|---|---|
| Number of residues: | 25 |
| Including | |
| Standard Amino Acids: | 24 |
| Non Standard Amino Acids: | 1 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | ZN |
| Ligandability | Volume (Å3) |
|---|---|
| 1.051 | 695.250 |
| % Hydrophobic | % Polar |
|---|---|
| 63.11 | 36.89 |
| According to VolSite | |
| HET Code: | MGI |
|---|---|
| Formula: | C16H16O6 |
| Molecular weight: | 304.295 g/mol |
| DrugBank ID: | DB08179 |
| Buried Surface Area: | 55.4 % |
| Polar Surface area: | 96.22 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 6 |
| H-Bond Donors: | 3 |
| Rings: | 2 |
| Aromatic rings: | 2 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 4 |
| X | Y | Z |
|---|---|---|
| 42.6125 | 29.5553 | 58.8847 |
Image generated by PoseView
Represent the protein/ligand binding mode, centered on the ligand
Dashed lines represents hydrogen bonds and metal interactions
Green residue labels for amino acids with hydrophobic contacts (green lines) to the ligand
| Ligand | Protein | Interaction | |||
|---|---|---|---|---|---|
| Atom | Atom | Residue | Distance (Å) | Angle (°) | Type |
| O6 | NE2 | GLN- 34 | 3.1 | 154.37 | H-Bond (Protein Donor) |
| C16 | CZ | PHE- 63 | 3.97 | 0 | Hydrophobic |
| C9 | CE | MET- 66 | 3.56 | 0 | Hydrophobic |
| C8 | CE | MET- 66 | 3.66 | 0 | Hydrophobic |
| C3 | CE | MET- 66 | 4.2 | 0 | Hydrophobic |
| C8 | CE2 | PHE- 68 | 4.1 | 0 | Hydrophobic |
| C10 | CD1 | LEU- 70 | 3.46 | 0 | Hydrophobic |
| C9 | CG | LYS- 157 | 4.21 | 0 | Hydrophobic |
| C15 | CG | MET- 158 | 4.48 | 0 | Hydrophobic |
| C16 | CG | MET- 158 | 4.3 | 0 | Hydrophobic |
| C7 | CE | MET- 158 | 3.78 | 0 | Hydrophobic |
| C6 | CD2 | LEU- 161 | 4.04 | 0 | Hydrophobic |
| C14 | CD2 | LEU- 161 | 3.88 | 0 | Hydrophobic |
| C16 | CG2 | ILE- 180 | 4.09 | 0 | Hydrophobic |
| O5 | ZN | ZN- 301 | 2.21 | 0 | Metal Acceptor |
| O6 | ZN | ZN- 301 | 2.29 | 0 | Metal Acceptor |
