sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.700 Å
X-ray
2013-09-02
| Min | Mean | Median | Standard Deviation | Max | Count | |
|---|---|---|---|---|---|---|
| pChEMBL: | 7.880 | 7.880 | 7.880 | 0.000 | 7.880 | 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 | 81 % |
| D | 19 % |
| B-Factor: | 69.072 |
|---|---|
| Number of residues: | 26 |
| Including | |
| Standard Amino Acids: | 26 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 0.795 | 884.250 |
| % Hydrophobic | % Polar |
|---|---|
| 40.84 | 59.16 |
| According to VolSite | |
| HET Code: | HCY |
|---|---|
| Formula: | C21H30O5 |
| Molecular weight: | 362.460 g/mol |
| DrugBank ID: | DB00741 |
| Buried Surface Area: | 66.76 % |
| Polar Surface area: | 94.83 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 5 |
| H-Bond Donors: | 3 |
| Rings: | 4 |
| Aromatic rings: | 0 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 2 |
| X | Y | Z |
|---|---|---|
| -11.8944 | 14.9606 | 11.275 |
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 | CG1 | VAL- 22 | 3.94 | 0 | Hydrophobic |
| C11 | CB | SER- 165 | 4.18 | 0 | Hydrophobic |
| O4 | NE2 | GLN- 232 | 3.02 | 133.09 | H-Bond (Protein Donor) |
| C16 | CG2 | THR- 240 | 4.35 | 0 | Hydrophobic |
| C16 | CE1 | PHE- 242 | 4.26 | 0 | Hydrophobic |
| C17 | CZ | PHE- 242 | 4.41 | 0 | Hydrophobic |
| C18 | CZ | PHE- 242 | 4.32 | 0 | Hydrophobic |
| C18 | CD1 | ILE- 263 | 3.82 | 0 | Hydrophobic |
| C19 | CD1 | ILE- 263 | 3.7 | 0 | Hydrophobic |
| C7 | CD1 | ILE- 263 | 3.69 | 0 | Hydrophobic |
| C8 | CD1 | ILE- 263 | 3.47 | 0 | Hydrophobic |
| C18 | CB | SER- 267 | 4.45 | 0 | Hydrophobic |
| C21 | CB | SER- 267 | 4.36 | 0 | Hydrophobic |
| O5 | OG | SER- 267 | 3.44 | 146.43 | H-Bond (Protein Donor) |
| C7 | CE1 | PHE- 366 | 4.09 | 0 | Hydrophobic |
| C15 | CD1 | PHE- 366 | 3.72 | 0 | Hydrophobic |
| C16 | CB | PHE- 366 | 4.02 | 0 | Hydrophobic |
| C10 | CE3 | TRP- 371 | 4.13 | 0 | Hydrophobic |
| C12 | CE2 | TRP- 371 | 4.13 | 0 | Hydrophobic |
| C11 | CZ2 | TRP- 371 | 4.21 | 0 | Hydrophobic |
| C14 | CE2 | TRP- 371 | 4.15 | 0 | Hydrophobic |
| C1 | CZ3 | TRP- 371 | 3.55 | 0 | Hydrophobic |
| C7 | CB | TRP- 371 | 3.63 | 0 | Hydrophobic |
| C9 | CD2 | TRP- 371 | 3.71 | 0 | Hydrophobic |
