sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
1.600 Å
X-ray
2010-02-26
| Name: | Prostaglandin reductase 3 |
|---|---|
| ID: | ZADH2_HUMAN |
| AC: | Q8N4Q0 |
| Organism: | Homo sapiens |
| Reign: | Eukaryota |
| TaxID: | 9606 |
| EC Number: | 1 |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 67 % |
| B | 33 % |
| B-Factor: | 13.168 |
|---|---|
| Number of residues: | 26 |
| Including | |
| Standard Amino Acids: | 24 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 2 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.437 | 958.500 |
| % Hydrophobic | % Polar |
|---|---|
| 52.46 | 47.54 |
| According to VolSite | |
| HET Code: | PFN |
|---|---|
| Formula: | C15H13O3 |
| Molecular weight: | 241.262 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 60.79 % |
| Polar Surface area: | 49.36 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 3 |
| H-Bond Donors: | 0 |
| Rings: | 2 |
| Aromatic rings: | 2 |
| Anionic atoms: | 1 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 4 |
| X | Y | Z |
|---|---|---|
| -5.80772 | -10.1192 | 17.2794 |
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 |
| CAP | CB | LEU- 164 | 3.83 | 0 | Hydrophobic |
| CAI | CB | LYS- 165 | 3.98 | 0 | Hydrophobic |
| CAP | CD1 | LEU- 170 | 3.96 | 0 | Hydrophobic |
| CAR | CD2 | LEU- 192 | 3.77 | 0 | Hydrophobic |
| CAH | CD2 | LEU- 192 | 4.22 | 0 | Hydrophobic |
| CAP | CB | LEU- 192 | 3.87 | 0 | Hydrophobic |
| CAH | CD | LYS- 195 | 3.74 | 0 | Hydrophobic |
| CAJ | CB | ALA- 196 | 4.03 | 0 | Hydrophobic |
| C13 | CB | THR- 277 | 4.46 | 0 | Hydrophobic |
| CAM | CG | PRO- 283 | 3.4 | 0 | Hydrophobic |
| CAH | SD | MET- 322 | 3.8 | 0 | Hydrophobic |
| OAB | O | HOH- 2222 | 2.86 | 179.96 | H-Bond (Protein Donor) |
