sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
1.880 Å
X-ray
2014-06-16
| Min | Mean | Median | Standard Deviation | Max | Count | |
|---|---|---|---|---|---|---|
| pChEMBL: | 7.200 | 7.200 | 7.200 | 0.000 | 7.200 | 3 |
| Name: | Serine/threonine-protein kinase 24 |
|---|---|
| ID: | STK24_HUMAN |
| AC: | Q9Y6E0 |
| Organism: | Homo sapiens |
| Reign: | Eukaryota |
| TaxID: | 9606 |
| EC Number: | 2.7.11.1 |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 100 % |
| B-Factor: | 27.014 |
|---|---|
| Number of residues: | 29 |
| Including | |
| Standard Amino Acids: | 29 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.037 | 560.250 |
| % Hydrophobic | % Polar |
|---|---|
| 44.58 | 55.42 |
| According to VolSite | |
| HET Code: | B49 |
|---|---|
| Formula: | C22H28FN4O2 |
| Molecular weight: | 399.482 g/mol |
| DrugBank ID: | DB01268 |
| Buried Surface Area: | 46.31 % |
| Polar Surface area: | 78.43 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 2 |
| H-Bond Donors: | 4 |
| Rings: | 3 |
| Aromatic rings: | 2 |
| Anionic atoms: | 0 |
| Cationic atoms: | 1 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 7 |
| X | Y | Z |
|---|---|---|
| -4.42752 | -0.880897 | 15.025 |
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 |
| C3 | CG1 | ILE- 30 | 4.08 | 0 | Hydrophobic |
| C7 | CG1 | VAL- 38 | 4.48 | 0 | Hydrophobic |
| C17 | CB | ALA- 51 | 4.08 | 0 | Hydrophobic |
| C6 | CG2 | THR- 83 | 3.75 | 0 | Hydrophobic |
| C5 | CE | MET- 99 | 3.49 | 0 | Hydrophobic |
| C5 | CE | MET- 99 | 3.49 | 0 | Hydrophobic |
| N24 | O | GLU- 100 | 2.69 | 144.08 | H-Bond (Ligand Donor) |
| C4 | CZ | TYR- 101 | 3.98 | 0 | Hydrophobic |
| N23 | O | LEU- 102 | 3.46 | 121.97 | H-Bond (Ligand Donor) |
| O27 | N | LEU- 102 | 2.74 | 166.92 | H-Bond (Protein Donor) |
| C17 | CD1 | LEU- 151 | 3.65 | 0 | Hydrophobic |
| C5 | CB | ALA- 161 | 4.22 | 0 | Hydrophobic |
| N4 | OH | TYR- 291 | 3.04 | 148.91 | H-Bond (Ligand Donor) |
| C42 | CE2 | TYR- 291 | 4.25 | 0 | Hydrophobic |
| C42 | CG | LYS- 295 | 4.16 | 0 | Hydrophobic |
