sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.350 Å
X-ray
2015-08-22
| Name: | Serum albumin |
|---|---|
| ID: | ALBU_HORSE |
| AC: | P35747 |
| Organism: | Equus caballus |
| Reign: | Eukaryota |
| TaxID: | 9796 |
| EC Number: | / |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 100 % |
| B-Factor: | 49.331 |
|---|---|
| Number of residues: | 20 |
| Including | |
| Standard Amino Acids: | 20 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 0.811 | 533.250 |
| % Hydrophobic | % Polar |
|---|---|
| 58.86 | 41.14 |
| According to VolSite | |
| HET Code: | DIF |
|---|---|
| Formula: | C14H10Cl2NO2 |
| Molecular weight: | 295.141 g/mol |
| DrugBank ID: | DB00586 |
| Buried Surface Area: | 59.72 % |
| Polar Surface area: | 52.16 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 3 |
| H-Bond Donors: | 1 |
| Rings: | 2 |
| Aromatic rings: | 2 |
| Anionic atoms: | 1 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 4 |
| X | Y | Z |
|---|---|---|
| 35.0038 | -5.77595 | 54.8649 |
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 |
| C7 | CD1 | LEU- 393 | 4.49 | 0 | Hydrophobic |
| C13 | CD2 | LEU- 393 | 3.77 | 0 | Hydrophobic |
| CL2 | CG2 | VAL- 397 | 4.07 | 0 | Hydrophobic |
| CL2 | CB | ASP- 401 | 3.71 | 0 | Hydrophobic |
| C1 | CB | ASP- 401 | 4.3 | 0 | Hydrophobic |
| C6 | CB | ASN- 404 | 3.72 | 0 | Hydrophobic |
| CL4 | CB | ALA- 405 | 4.45 | 0 | Hydrophobic |
| C13 | CB | ALA- 405 | 4.39 | 0 | Hydrophobic |
| C3 | CB | ALA- 405 | 3.75 | 0 | Hydrophobic |
| CL4 | CB | VAL- 408 | 3.62 | 0 | Hydrophobic |
| C5 | CG2 | VAL- 408 | 4.3 | 0 | Hydrophobic |
| C4 | CB | LYS- 540 | 4.32 | 0 | Hydrophobic |
| CL4 | CG | LYS- 540 | 4.19 | 0 | Hydrophobic |
| C13 | CD | LYS- 540 | 4.25 | 0 | Hydrophobic |
| C7 | CG | LYS- 540 | 3.93 | 0 | Hydrophobic |
| O1 | NZ | LYS- 540 | 3.83 | 0 | Ionic (Protein Cationic) |
| C10 | CB | GLU- 541 | 4.09 | 0 | Hydrophobic |
| C1 | CG | LYS- 544 | 3.35 | 0 | Hydrophobic |
| CL2 | CD | LYS- 544 | 3.74 | 0 | Hydrophobic |
| C6 | CB | LYS- 544 | 3.49 | 0 | Hydrophobic |
| C9 | CD | LYS- 544 | 3.8 | 0 | Hydrophobic |
