sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.600 Å
X-ray
2005-06-13
| Min | Mean | Median | Standard Deviation | Max | Count | |
|---|---|---|---|---|---|---|
| pChEMBL: | 6.570 | 6.610 | 6.570 | 0.060 | 6.700 | 3 |
| Name: | Serine/threonine-protein kinase 16 |
|---|---|
| ID: | STK16_HUMAN |
| AC: | O75716 |
| Organism: | Homo sapiens |
| Reign: | Eukaryota |
| TaxID: | 9606 |
| EC Number: | / |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 100 % |
| B-Factor: | 30.564 |
|---|---|
| Number of residues: | 25 |
| Including | |
| Standard Amino Acids: | 25 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.166 | 550.125 |
| % Hydrophobic | % Polar |
|---|---|
| 51.53 | 48.47 |
| According to VolSite | |
| HET Code: | STU |
|---|---|
| Formula: | C28H27N4O3 |
| Molecular weight: | 467.539 g/mol |
| DrugBank ID: | DB02010 |
| Buried Surface Area: | 50.63 % |
| Polar Surface area: | 74.03 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 3 |
| H-Bond Donors: | 2 |
| Rings: | 8 |
| Aromatic rings: | 5 |
| Anionic atoms: | 0 |
| Cationic atoms: | 1 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 2 |
| X | Y | Z |
|---|---|---|
| -16.8759 | -22.4914 | -6.34486 |
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 | CD1 | LEU- 26 | 4.13 | 0 | Hydrophobic |
| C2 | CD2 | LEU- 26 | 4.06 | 0 | Hydrophobic |
| C26 | CG2 | VAL- 34 | 3.96 | 0 | Hydrophobic |
| C11 | CG1 | VAL- 34 | 4.22 | 0 | Hydrophobic |
| C16 | CG2 | VAL- 34 | 3.62 | 0 | Hydrophobic |
| C10 | CB | ALA- 47 | 4.03 | 0 | Hydrophobic |
| C14 | CD | LYS- 49 | 3.97 | 0 | Hydrophobic |
| C13 | CD1 | LEU- 98 | 3.98 | 0 | Hydrophobic |
| N1 | O | PRO- 99 | 3.04 | 149.69 | H-Bond (Ligand Donor) |
| C4 | CE1 | PHE- 100 | 3.46 | 0 | Hydrophobic |
| O5 | N | PHE- 101 | 2.87 | 174.5 | H-Bond (Protein Donor) |
| C7 | CD2 | LEU- 155 | 4.05 | 0 | Hydrophobic |
| C11 | SD | MET- 165 | 4.33 | 0 | Hydrophobic |
| C27 | CE | MET- 165 | 3.26 | 0 | Hydrophobic |
| C13 | CE | MET- 165 | 3.76 | 0 | Hydrophobic |
