sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.480 Å
X-ray
2012-09-19
| Min | Mean | Median | Standard Deviation | Max | Count | |
|---|---|---|---|---|---|---|
| pChEMBL: | 7.380 | 7.380 | 7.380 | 0.000 | 7.380 | 1 |
| Name: | Corticosteroid-binding globulin |
|---|---|
| ID: | CBG_HUMAN |
| AC: | P08185 |
| Organism: | Homo sapiens |
| Reign: | Eukaryota |
| TaxID: | 9606 |
| EC Number: | / |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 71 % |
| B | 29 % |
| B-Factor: | 33.226 |
|---|---|
| Number of residues: | 25 |
| Including | |
| Standard Amino Acids: | 24 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 1 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 0.882 | 351.000 |
| % Hydrophobic | % Polar |
|---|---|
| 57.69 | 42.31 |
| According to VolSite | |
| HET Code: | STR |
|---|---|
| Formula: | C21H30O2 |
| Molecular weight: | 314.462 g/mol |
| DrugBank ID: | DB00396 |
| Buried Surface Area: | 62.29 % |
| Polar Surface area: | 34.14 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 2 |
| H-Bond Donors: | 0 |
| Rings: | 4 |
| Aromatic rings: | 0 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 1 |
| X | Y | Z |
|---|---|---|
| -29.285 | -11.6592 | 1.35326 |
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 |
| C6 | CG2 | VAL- 22 | 4.24 | 0 | Hydrophobic |
| O20 | NE2 | GLN- 232 | 3.19 | 171.99 | H-Bond (Protein Donor) |
| C16 | CG2 | THR- 240 | 3.85 | 0 | Hydrophobic |
| C18 | CZ | PHE- 242 | 3.98 | 0 | Hydrophobic |
| C2 | CD | ARG- 260 | 3.83 | 0 | Hydrophobic |
| C19 | CB | ARG- 260 | 4.18 | 0 | Hydrophobic |
| C8 | CG2 | ILE- 263 | 4.22 | 0 | Hydrophobic |
| C18 | CG2 | ILE- 263 | 3.84 | 0 | Hydrophobic |
| C19 | CG2 | ILE- 263 | 3.91 | 0 | Hydrophobic |
| C18 | CB | SER- 267 | 3.98 | 0 | Hydrophobic |
| C6 | CE1 | PHE- 366 | 3.73 | 0 | Hydrophobic |
| C7 | CD1 | PHE- 366 | 3.66 | 0 | Hydrophobic |
| C15 | CB | PHE- 366 | 4.02 | 0 | Hydrophobic |
| C16 | CB | HIS- 368 | 4.41 | 0 | Hydrophobic |
| C10 | CD2 | TRP- 371 | 4.29 | 0 | Hydrophobic |
| C14 | CE2 | TRP- 371 | 4.45 | 0 | Hydrophobic |
| C1 | CE3 | TRP- 371 | 3.89 | 0 | Hydrophobic |
| C7 | CB | TRP- 371 | 3.74 | 0 | Hydrophobic |
| C9 | CE2 | TRP- 371 | 3.8 | 0 | Hydrophobic |
