sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.500 Å
X-ray
2001-03-23
| Name: | Serum albumin |
|---|---|
| ID: | ALBU_HUMAN |
| AC: | P02768 |
| Organism: | Homo sapiens |
| Reign: | Eukaryota |
| TaxID: | 9606 |
| EC Number: | / |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 100 % |
| B-Factor: | 47.969 |
|---|---|
| Number of residues: | 26 |
| Including | |
| Standard Amino Acids: | 26 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.298 | 367.875 |
| % Hydrophobic | % Polar |
|---|---|
| 77.06 | 22.94 |
| According to VolSite | |
| HET Code: | RWF |
|---|---|
| Formula: | C19H15O4 |
| Molecular weight: | 307.320 g/mol |
| DrugBank ID: | DB08496 |
| Buried Surface Area: | 54.51 % |
| Polar Surface area: | 66.43 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 4 |
| H-Bond Donors: | 0 |
| Rings: | 3 |
| Aromatic rings: | 2 |
| Anionic atoms: | 1 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 4 |
| X | Y | Z |
|---|---|---|
| 32.2726 | 14.0394 | 9.28461 |
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 |
| C8 | CB | ALA- 215 | 3.56 | 0 | Hydrophobic |
| C7 | CG | ARG- 218 | 4.41 | 0 | Hydrophobic |
| C7 | CD2 | LEU- 219 | 4.24 | 0 | Hydrophobic |
| O2 | NE | ARG- 222 | 3.45 | 148.92 | H-Bond (Protein Donor) |
| C18 | CD2 | LEU- 238 | 4.48 | 0 | Hydrophobic |
| C1 | CD2 | LEU- 238 | 3.53 | 0 | Hydrophobic |
| C8 | CD1 | LEU- 238 | 3.72 | 0 | Hydrophobic |
| C16 | CG | ARG- 257 | 4.33 | 0 | Hydrophobic |
| C17 | CD2 | LEU- 260 | 3.68 | 0 | Hydrophobic |
| C18 | CD1 | ILE- 264 | 4.34 | 0 | Hydrophobic |
| C17 | CB | SER- 287 | 3.87 | 0 | Hydrophobic |
| C18 | CG2 | ILE- 290 | 4.26 | 0 | Hydrophobic |
| C1 | CB | ALA- 291 | 3.89 | 0 | Hydrophobic |
| C3 | CB | ALA- 291 | 3.98 | 0 | Hydrophobic |
