sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.580 Å
X-ray
2014-02-10
| Name: | Serum albumin |
|---|---|
| ID: | ALBU_BOVIN |
| AC: | P02769 |
| Organism: | Bos taurus |
| Reign: | Eukaryota |
| TaxID: | 9913 |
| EC Number: | / |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| B | 100 % |
| B-Factor: | 60.635 |
|---|---|
| Number of residues: | 22 |
| Including | |
| Standard Amino Acids: | 21 |
| Non Standard Amino Acids: | 1 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 0.119 | 556.875 |
| % Hydrophobic | % Polar |
|---|---|
| 39.39 | 60.61 |
| According to VolSite | |
| HET Code: | NPS |
|---|---|
| Formula: | C14H13O3 |
| Molecular weight: | 229.251 g/mol |
| DrugBank ID: | DB00788 |
| Buried Surface Area: | 64.91 % |
| 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: | 3 |
| X | Y | Z |
|---|---|---|
| 70.6273 | 25.9361 | 87.8429 |
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 |
| OXT | NE | ARG- 194 | 3.28 | 162.61 | H-Bond (Protein Donor) |
| C3 | CG | LEU- 197 | 4.4 | 0 | Hydrophobic |
| C8 | CD2 | LEU- 197 | 3.64 | 0 | Hydrophobic |
| C11 | CD2 | LEU- 197 | 3.62 | 0 | Hydrophobic |
| C3 | CG | ARG- 198 | 4.41 | 0 | Hydrophobic |
| C7 | CG | ARG- 198 | 4.25 | 0 | Hydrophobic |
| C2 | CB | SER- 201 | 4.23 | 0 | Hydrophobic |
| C12 | CB | ALA- 209 | 4.37 | 0 | Hydrophobic |
| O | NE1 | TRP- 213 | 2.78 | 167.8 | H-Bond (Protein Donor) |
| C3 | CB | TRP- 213 | 3.81 | 0 | Hydrophobic |
| O | CZ | ARG- 217 | 3.65 | 0 | Ionic (Protein Cationic) |
| C13 | CG1 | VAL- 342 | 4.31 | 0 | Hydrophobic |
| C12 | CD1 | LEU- 346 | 3.7 | 0 | Hydrophobic |
| C6 | CD1 | LEU- 346 | 3.85 | 0 | Hydrophobic |
| C10 | CD2 | LEU- 454 | 3.92 | 0 | Hydrophobic |
| C1 | CD2 | LEU- 480 | 4.01 | 0 | Hydrophobic |
