sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.650 Å
X-ray
2010-10-28
| 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: | 49.031 |
|---|---|
| Number of residues: | 20 |
| Including | |
| Standard Amino Acids: | 20 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.444 | 654.750 |
| % Hydrophobic | % Polar |
|---|---|
| 68.56 | 31.44 |
| According to VolSite | |
| HET Code: | 9NR |
|---|---|
| Formula: | C18H25N5O4S |
| Molecular weight: | 407.487 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 42.02 % |
| Polar Surface area: | 161.55 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 7 |
| H-Bond Donors: | 4 |
| Rings: | 2 |
| Aromatic rings: | 2 |
| Anionic atoms: | 1 |
| Cationic atoms: | 1 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 10 |
| X | Y | Z |
|---|---|---|
| 28.6115 | 8.04911 | 31.485 |
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 |
| C12 | CG2 | ILE- 142 | 3.89 | 0 | Hydrophobic |
| C8 | CD1 | ILE- 142 | 4.04 | 0 | Hydrophobic |
| C12 | CE2 | PHE- 149 | 3.89 | 0 | Hydrophobic |
| C12 | CD1 | LEU- 154 | 3.66 | 0 | Hydrophobic |
| C11 | CD1 | PHE- 157 | 3.52 | 0 | Hydrophobic |
| C11 | CE2 | TYR- 161 | 4.29 | 0 | Hydrophobic |
| CA | CD | ARG- 186 | 3.76 | 0 | Hydrophobic |
| C7 | CG | ARG- 186 | 4.05 | 0 | Hydrophobic |
| O | NZ | LYS- 190 | 3.06 | 158.77 | H-Bond (Protein Donor) |
| O | NZ | LYS- 190 | 3.06 | 0 | Ionic (Protein Cationic) |
| CA | CD | LYS- 190 | 3.71 | 0 | Hydrophobic |
| C2 | CG | LYS- 190 | 4.2 | 0 | Hydrophobic |
| C3 | CB | SER- 193 | 4.22 | 0 | Hydrophobic |
