sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.700 Å
X-ray
2013-01-28
| Name: | Strictosidine synthase |
|---|---|
| ID: | STSY_RAUSE |
| AC: | P68175 |
| Organism: | Rauvolfia serpentina |
| Reign: | Eukaryota |
| TaxID: | 4060 |
| EC Number: | 4.3.3.2 |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 100 % |
| B-Factor: | 27.702 |
|---|---|
| Number of residues: | 23 |
| Including | |
| Standard Amino Acids: | 23 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.097 | 597.375 |
| % Hydrophobic | % Polar |
|---|---|
| 59.89 | 40.11 |
| According to VolSite | |
| HET Code: | 1HU |
|---|---|
| Formula: | C11H15N2 |
| Molecular weight: | 175.250 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 44.18 % |
| Polar Surface area: | 32.4 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 0 |
| H-Bond Donors: | 2 |
| Rings: | 2 |
| Aromatic rings: | 2 |
| Anionic atoms: | 0 |
| Cationic atoms: | 1 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 3 |
| X | Y | Z |
|---|---|---|
| 24.1521 | -41.6166 | 0.400846 |
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 |
| CAD | CG1 | VAL- 167 | 4.47 | 0 | Hydrophobic |
| CAC | CG1 | VAL- 176 | 4.2 | 0 | Hydrophobic |
| CAD | CG1 | VAL- 208 | 3.25 | 0 | Hydrophobic |
| CAH | CZ | PHE- 226 | 3.56 | 0 | Hydrophobic |
| NAI | OE2 | GLU- 309 | 3.37 | 131.88 | H-Bond (Ligand Donor) |
| NAI | OE2 | GLU- 309 | 3.37 | 0 | Ionic (Ligand Cationic) |
