sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.300 Å
X-ray
2007-10-13
| 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 | 100 % |
| B-Factor: | 25.603 |
|---|---|
| Number of residues: | 24 |
| Including | |
| Standard Amino Acids: | 24 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.356 | 489.375 |
| % Hydrophobic | % Polar |
|---|---|
| 64.14 | 35.86 |
| According to VolSite | |
| HET Code: | HCY |
|---|---|
| Formula: | C21H30O5 |
| Molecular weight: | 362.460 g/mol |
| DrugBank ID: | DB00741 |
| Buried Surface Area: | 61.4 % |
| 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 |
|---|---|---|
| -8.81212 | 2.86558 | -39.4429 |
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 | 3.93 | 0 | Hydrophobic |
| O4 | NE2 | GLN- 232 | 2.8 | 142.18 | H-Bond (Protein Donor) |
| C16 | CG2 | THR- 240 | 3.93 | 0 | Hydrophobic |
| C16 | CE1 | PHE- 242 | 4.28 | 0 | Hydrophobic |
| C19 | CG | ARG- 260 | 4.3 | 0 | Hydrophobic |
| C19 | CD1 | ILE- 263 | 3.78 | 0 | Hydrophobic |
| C6 | CD1 | ILE- 263 | 3.59 | 0 | Hydrophobic |
| C18 | CB | SER- 267 | 3.84 | 0 | Hydrophobic |
| C15 | CG | PHE- 366 | 3.8 | 0 | Hydrophobic |
| C16 | CB | PHE- 366 | 4.3 | 0 | Hydrophobic |
| C7 | CE2 | PHE- 366 | 3.71 | 0 | Hydrophobic |
| O3 | ND1 | HIS- 368 | 3.03 | 174.87 | H-Bond (Ligand Donor) |
| C11 | CE2 | TRP- 371 | 4.29 | 0 | Hydrophobic |
| C1 | CE3 | TRP- 371 | 3.61 | 0 | Hydrophobic |
| C7 | CB | TRP- 371 | 3.76 | 0 | Hydrophobic |
| C9 | CD2 | TRP- 371 | 4.05 | 0 | Hydrophobic |
