sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.800 Å
X-ray
2003-03-05
| 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: | 47.614 |
|---|---|
| Number of residues: | 29 |
| Including | |
| Standard Amino Acids: | 29 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 0.759 | 644.625 |
| % Hydrophobic | % Polar |
|---|---|
| 52.88 | 47.12 |
| According to VolSite | |
| HET Code: | T44 |
|---|---|
| Formula: | C15H10I4NO4 |
| Molecular weight: | 775.862 g/mol |
| DrugBank ID: | DB00451 |
| Buried Surface Area: | 53.53 % |
| Polar Surface area: | 100.06 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 4 |
| H-Bond Donors: | 1 |
| Rings: | 2 |
| Aromatic rings: | 2 |
| Anionic atoms: | 2 |
| Cationic atoms: | 1 |
| Rule of Five Violation: | 1 |
| Rotatable Bonds: | 5 |
| X | Y | Z |
|---|---|---|
| -7.77487 | -0.593458 | 13.6803 |
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 |
| O4' | OH | TYR- 150 | 3.02 | 150.86 | H-Bond (Protein Donor) |
| I5' | CE2 | TYR- 150 | 3.66 | 0 | Hydrophobic |
| O10 | NZ | LYS- 199 | 2.65 | 172.27 | H-Bond (Protein Donor) |
| O10 | NZ | LYS- 199 | 2.65 | 0 | Ionic (Protein Cationic) |
| I3 | CZ | PHE- 211 | 4.27 | 0 | Hydrophobic |
| I3 | CB | ALA- 215 | 4.19 | 0 | Hydrophobic |
| C1 | CB | HIS- 218 | 3.85 | 0 | Hydrophobic |
| I5 | CD2 | LEU- 219 | 4.26 | 0 | Hydrophobic |
| C4 | CD2 | LEU- 219 | 3.78 | 0 | Hydrophobic |
| C1' | CD2 | LEU- 238 | 3.88 | 0 | Hydrophobic |
| I3 | CG | LEU- 238 | 3.95 | 0 | Hydrophobic |
| C2' | CD1 | LEU- 238 | 3.69 | 0 | Hydrophobic |
| I3' | CG | ARG- 257 | 4.34 | 0 | Hydrophobic |
| I3' | CD2 | LEU- 260 | 4.4 | 0 | Hydrophobic |
| I5' | CB | ALA- 291 | 4.41 | 0 | Hydrophobic |
| C4' | CB | ALA- 291 | 3.9 | 0 | Hydrophobic |
| I5 | CG2 | VAL- 293 | 4.3 | 0 | Hydrophobic |
