sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.650 Å
X-ray
2011-10-24
| 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: | 35.312 |
|---|---|
| Number of residues: | 19 |
| Including | |
| Standard Amino Acids: | 18 |
| Non Standard Amino Acids: | 1 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 0.962 | 1525.500 |
| % Hydrophobic | % Polar |
|---|---|
| 43.58 | 56.42 |
| According to VolSite | |
| HET Code: | HC4 |
|---|---|
| Formula: | C9H7O3 |
| Molecular weight: | 163.150 g/mol |
| DrugBank ID: | DB04066 |
| Buried Surface Area: | 64.72 % |
| Polar Surface area: | 60.36 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 3 |
| H-Bond Donors: | 1 |
| Rings: | 1 |
| Aromatic rings: | 1 |
| Anionic atoms: | 1 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 2 |
| X | Y | Z |
|---|---|---|
| 3.34317 | 4.06108 | 28.6745 |
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 |
| O4' | NE2 | HIS- 109 | 2.74 | 157.45 | H-Bond (Protein Donor) |
| C2 | CB | ARG- 255 | 3.38 | 0 | Hydrophobic |
| C3' | CD | ARG- 255 | 3.72 | 0 | Hydrophobic |
| C6' | CB | ARG- 255 | 3.65 | 0 | Hydrophobic |
| C2 | CB | GLU- 258 | 4.36 | 0 | Hydrophobic |
| C5' | CG | GLU- 258 | 3.62 | 0 | Hydrophobic |
| C1' | CG | GLU- 258 | 4.02 | 0 | Hydrophobic |
| C3 | CZ | PHE- 381 | 3.89 | 0 | Hydrophobic |
