sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.000 Å
X-ray
2002-04-17
| Min | Mean | Median | Standard Deviation | Max | Count | |
|---|---|---|---|---|---|---|
| pChEMBL: | 8.910 | 8.910 | 8.910 | 0.000 | 8.910 | 1 |
| Name: | Sex hormone-binding globulin |
|---|---|
| ID: | SHBG_HUMAN |
| AC: | P04278 |
| Organism: | Homo sapiens |
| Reign: | Eukaryota |
| TaxID: | 9606 |
| EC Number: | / |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 100 % |
| B-Factor: | 38.287 |
|---|---|
| Number of residues: | 35 |
| Including | |
| Standard Amino Acids: | 35 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.779 | 550.125 |
| % Hydrophobic | % Polar |
|---|---|
| 69.94 | 30.06 |
| According to VolSite | |
| HET Code: | NOG |
|---|---|
| Formula: | C21H28O2 |
| Molecular weight: | 312.446 g/mol |
| DrugBank ID: | DB00367 |
| Buried Surface Area: | 71.85 % |
| Polar Surface area: | 37.29 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 2 |
| H-Bond Donors: | 1 |
| Rings: | 4 |
| Aromatic rings: | 0 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 1 |
| X | Y | Z |
|---|---|---|
| 21.387 | 10.6036 | 32.0501 |
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 |
| O3 | OG | SER- 42 | 2.57 | 154.66 | H-Bond (Protein Donor) |
| C6 | CE1 | PHE- 56 | 3.8 | 0 | Hydrophobic |
| C16 | CG2 | THR- 60 | 4.36 | 0 | Hydrophobic |
| C21 | CG2 | THR- 60 | 3.57 | 0 | Hydrophobic |
| O17 | OD1 | ASP- 65 | 3.1 | 153.25 | H-Bond (Ligand Donor) |
| C6 | CD2 | PHE- 67 | 3.95 | 0 | Hydrophobic |
| C18 | CB | PHE- 67 | 4.02 | 0 | Hydrophobic |
| C8 | CB | PHE- 67 | 3.86 | 0 | Hydrophobic |
| C19 | CG | LEU- 80 | 4.09 | 0 | Hydrophobic |
| O17 | ND2 | ASN- 82 | 3.37 | 143.81 | H-Bond (Protein Donor) |
| C2 | CG1 | VAL- 105 | 4.12 | 0 | Hydrophobic |
| C11 | CG | MET- 107 | 3.83 | 0 | Hydrophobic |
| C12 | CE | MET- 107 | 4.17 | 0 | Hydrophobic |
| C1 | CG | MET- 107 | 3.48 | 0 | Hydrophobic |
| C11 | CG2 | VAL- 112 | 4.27 | 0 | Hydrophobic |
| C19 | CG2 | VAL- 112 | 4.35 | 0 | Hydrophobic |
| C19 | CG2 | VAL- 127 | 4.49 | 0 | Hydrophobic |
| C19 | CB | SER- 128 | 4.26 | 0 | Hydrophobic |
| C21 | CD1 | LEU- 131 | 4.28 | 0 | Hydrophobic |
| C7 | SD | MET- 139 | 4.04 | 0 | Hydrophobic |
| C14 | CE | MET- 139 | 3.95 | 0 | Hydrophobic |
| C21 | CE | MET- 139 | 3.37 | 0 | Hydrophobic |
| C6 | CD1 | ILE- 141 | 4 | 0 | Hydrophobic |
| C2 | CD2 | LEU- 171 | 4.49 | 0 | Hydrophobic |
