sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
1.990 Å
X-ray
2013-11-30
| Name: | Lactoperoxidase |
|---|---|
| ID: | PERL_BOVIN |
| AC: | P80025 |
| Organism: | Bos taurus |
| Reign: | Eukaryota |
| TaxID: | 9913 |
| EC Number: | 1.11.1.7 |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 100 % |
| B-Factor: | 36.704 |
|---|---|
| Number of residues: | 20 |
| Including | |
| Standard Amino Acids: | 17 |
| Non Standard Amino Acids: | 1 |
| Water Molecules: | 2 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 0.587 | 1836.000 |
| % Hydrophobic | % Polar |
|---|---|
| 40.07 | 59.93 |
| According to VolSite | |
| HET Code: | ZAW |
|---|---|
| Formula: | C11H8N2O |
| Molecular weight: | 184.194 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 61.93 % |
| Polar Surface area: | 42.85 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 3 |
| H-Bond Donors: | 0 |
| Rings: | 2 |
| Aromatic rings: | 2 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 2 |
| X | Y | Z |
|---|---|---|
| 2.994 | 4.49264 | 29.5926 |
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 |
| C06 | CB | ARG- 255 | 3.71 | 0 | Hydrophobic |
| C07 | CG | ARG- 255 | 4.05 | 0 | Hydrophobic |
| C01 | CG | ARG- 255 | 3.56 | 0 | Hydrophobic |
| C09 | CB | ARG- 255 | 3.56 | 0 | Hydrophobic |
| C01 | CB | GLU- 258 | 4.09 | 0 | Hydrophobic |
| C07 | CG | GLU- 258 | 4.03 | 0 | Hydrophobic |
| C02 | CZ | PHE- 381 | 4.48 | 0 | Hydrophobic |
| N02 | O | HOH- 887 | 3.24 | 129.66 | H-Bond (Protein Donor) |
