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
| 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: | 25.708 |
|---|---|
| Number of residues: | 37 |
| Including | |
| Standard Amino Acids: | 36 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 1 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.256 | 607.500 |
| % Hydrophobic | % Polar |
|---|---|
| 46.67 | 53.33 |
| According to VolSite | |
| HET Code: | H8H |
|---|---|
| Formula: | C27H33ClN5O5 |
| Molecular weight: | 543.034 g/mol |
| DrugBank ID: | DB11805 |
| Buried Surface Area: | 50.61 % |
| Polar Surface area: | 91.64 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 9 |
| H-Bond Donors: | 2 |
| Rings: | 6 |
| Aromatic rings: | 3 |
| Anionic atoms: | 0 |
| Cationic atoms: | 1 |
| Rule of Five Violation: | 1 |
| Rotatable Bonds: | 8 |
| X | Y | Z |
|---|---|---|
| 21.9498 | 8.16421 | 72.2932 |
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 |
| C9 | CD1 | ILE- 30 | 3.62 | 0 | Hydrophobic |
| C14 | CG2 | VAL- 38 | 4.24 | 0 | Hydrophobic |
| C22 | CG2 | VAL- 38 | 4.49 | 0 | Hydrophobic |
| C23 | CG1 | VAL- 38 | 4.21 | 0 | Hydrophobic |
| C25 | CG1 | VAL- 38 | 4.46 | 0 | Hydrophobic |
| C11 | CG1 | VAL- 38 | 4.15 | 0 | Hydrophobic |
| C19 | CB | ALA- 51 | 4.3 | 0 | Hydrophobic |
| C25 | CB | ALA- 51 | 3.86 | 0 | Hydrophobic |
| C25 | CB | LYS- 53 | 3.72 | 0 | Hydrophobic |
| C28 | CD | LYS- 53 | 4.19 | 0 | Hydrophobic |
| C27 | CB | LYS- 53 | 3.96 | 0 | Hydrophobic |
| C25 | CG | MET- 99 | 3.7 | 0 | Hydrophobic |
| C27 | SD | MET- 99 | 3.88 | 0 | Hydrophobic |
| N34 | N | LEU- 102 | 3 | 167.38 | H-Bond (Protein Donor) |
| C17 | CD2 | LEU- 151 | 4.12 | 0 | Hydrophobic |
| C19 | CD1 | LEU- 151 | 4.24 | 0 | Hydrophobic |
| CL3 | CD1 | LEU- 151 | 4.32 | 0 | Hydrophobic |
| CL3 | CB | ALA- 161 | 4.17 | 0 | Hydrophobic |
| CL3 | CB | ASP- 162 | 4.2 | 0 | Hydrophobic |
