sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.590 Å
X-ray
2007-04-27
| Name: | Trans-1,2-dihydrobenzene-1,2-diol dehydrogenase |
|---|---|
| ID: | DHDH_MACFA |
| AC: | Q9TQS6 |
| Organism: | Macaca fascicularis |
| Reign: | Eukaryota |
| TaxID: | 9541 |
| EC Number: | 1.3.1.20 |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| X | 100 % |
| B-Factor: | 23.543 |
|---|---|
| Number of residues: | 13 |
| Including | |
| Standard Amino Acids: | 13 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 0.678 | 745.875 |
| % Hydrophobic | % Polar |
|---|---|
| 51.58 | 48.42 |
| According to VolSite | |
| HET Code: | ISD |
|---|---|
| Formula: | C6H7O6 |
| Molecular weight: | 175.116 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 48.27 % |
| Polar Surface area: | 110.05 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 6 |
| H-Bond Donors: | 3 |
| Rings: | 1 |
| Aromatic rings: | 0 |
| Anionic atoms: | 1 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 2 |
| X | Y | Z |
|---|---|---|
| -15.4967 | -45.0137 | 3.66717 |
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 |
| C13 | CZ | PHE- 1154 | 4.35 | 0 | Hydrophobic |
| C13 | CE2 | TYR- 1180 | 4.29 | 0 | Hydrophobic |
| O14 | OH | TYR- 1180 | 3.49 | 147.28 | H-Bond (Protein Donor) |
| C2 | CZ2 | TRP- 1254 | 4.05 | 0 | Hydrophobic |
| O6 | N | ASP- 1280 | 3.29 | 155.01 | H-Bond (Protein Donor) |
