sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.150 Å
X-ray
2002-03-03
| Name: | Peroxidase C1A |
|---|---|
| ID: | PER1A_ARMRU |
| AC: | P00433 |
| Organism: | Armoracia rusticana |
| Reign: | Eukaryota |
| TaxID: | 3704 |
| EC Number: | 1.11.1.7 |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 100 % |
| B-Factor: | 5.451 |
|---|---|
| Number of residues: | 19 |
| Including | |
| Standard Amino Acids: | 17 |
| Non Standard Amino Acids: | 1 |
| Water Molecules: | 1 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.143 | 617.625 |
| % Hydrophobic | % Polar |
|---|---|
| 51.91 | 48.09 |
| According to VolSite | |
| HET Code: | FER |
|---|---|
| Formula: | C10H9O4 |
| Molecular weight: | 193.176 g/mol |
| DrugBank ID: | DB07767 |
| Buried Surface Area: | 57.25 % |
| Polar Surface area: | 69.59 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 4 |
| H-Bond Donors: | 1 |
| Rings: | 1 |
| Aromatic rings: | 1 |
| Anionic atoms: | 1 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 3 |
| X | Y | Z |
|---|---|---|
| 0.941929 | 30.9523 | 56.0299 |
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 | NH2 | ARG- 38 | 3.15 | 150.68 | H-Bond (Protein Donor) |
| C10 | CB | SER- 73 | 4.23 | 0 | Hydrophobic |
| C5 | CB | LEU- 138 | 4.4 | 0 | Hydrophobic |
| C6 | CB | ALA- 140 | 3.7 | 0 | Hydrophobic |
| C10 | CZ | PHE- 179 | 3.22 | 0 | Hydrophobic |
| O4 | O | HOH- 2387 | 2.6 | 179.97 | H-Bond (Protein Donor) |
