sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
1.850 Å
X-ray
2005-09-08
| Name: | Phosphotriesterase |
|---|---|
| ID: | Q93LD7_RHIRD |
| AC: | Q93LD7 |
| Organism: | Rhizobium radiobacter |
| Reign: | Bacteria |
| TaxID: | 358 |
| EC Number: | / |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 100 % |
| B-Factor: | 12.738 |
|---|---|
| Number of residues: | 22 |
| Including | |
| Standard Amino Acids: | 21 |
| Non Standard Amino Acids: | 1 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 0.260 | 337.500 |
| % Hydrophobic | % Polar |
|---|---|
| 54.00 | 46.00 |
| According to VolSite | |
| HET Code: | DZZ |
|---|---|
| Formula: | C2H7O3PS |
| Molecular weight: | 142.114 g/mol |
| DrugBank ID: | DB04687 |
| Buried Surface Area: | 70.86 % |
| Polar Surface area: | 80.59 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 4 |
| H-Bond Donors: | 1 |
| Rings: | 0 |
| Aromatic rings: | 0 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 2 |
| X | Y | Z |
|---|---|---|
| 29.2927 | 20.7366 | -0.386143 |
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 |
| C2 | CZ2 | TRP- 131 | 3.78 | 0 | Hydrophobic |
| O2 | NH2 | ARG- 254 | 3.02 | 142.41 | H-Bond (Protein Donor) |
| C1 | CZ | TYR- 257 | 4.23 | 0 | Hydrophobic |
| C1 | CD1 | LEU- 271 | 4.35 | 0 | Hydrophobic |
| C1 | CZ | PHE- 306 | 3.67 | 0 | Hydrophobic |
| C2 | CE1 | PHE- 306 | 3.88 | 0 | Hydrophobic |
