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: | 18.875 |
|---|---|
| Number of residues: | 38 |
| Including | |
| Standard Amino Acids: | 37 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 1 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 0.770 | 644.625 |
| % Hydrophobic | % Polar |
|---|---|
| 47.64 | 52.36 |
| According to VolSite | |
| HET Code: | 1N1 |
|---|---|
| Formula: | C22H27ClN7O2S |
| Molecular weight: | 489.013 g/mol |
| DrugBank ID: | DB01254 |
| Buried Surface Area: | 54.93 % |
| Polar Surface area: | 135.94 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 7 |
| H-Bond Donors: | 4 |
| Rings: | 4 |
| Aromatic rings: | 3 |
| Anionic atoms: | 0 |
| Cationic atoms: | 1 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 7 |
| X | Y | Z |
|---|---|---|
| 43.6677 | 0.451364 | 15.4361 |
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 |
| C15 | CG1 | ILE- 30 | 4.22 | 0 | Hydrophobic |
| C10 | CG1 | VAL- 38 | 4.4 | 0 | Hydrophobic |
| C10 | CB | ALA- 51 | 3.88 | 0 | Hydrophobic |
| S | CB | ALA- 51 | 4.12 | 0 | Hydrophobic |
| DuAr | NZ | LYS- 53 | 3.97 | 35.22 | Pi/Cation |
| C7 | CD | LYS- 53 | 3.75 | 0 | Hydrophobic |
| C8 | CB | LYS- 53 | 3.52 | 0 | Hydrophobic |
| C8 | CG2 | ILE- 97 | 3.98 | 0 | Hydrophobic |
| C10 | CG | MET- 99 | 3.47 | 0 | Hydrophobic |
| N | O | LEU- 102 | 2.75 | 158.26 | H-Bond (Ligand Donor) |
| N1 | N | LEU- 102 | 3.01 | 171.94 | H-Bond (Protein Donor) |
| S | CD1 | LEU- 151 | 3.92 | 0 | Hydrophobic |
| CL | CB | ALA- 161 | 4.28 | 0 | Hydrophobic |
| CL | CB | ASP- 162 | 3.72 | 0 | Hydrophobic |
| C21 | CE2 | TYR- 291 | 3.72 | 0 | Hydrophobic |
| C21 | CG | LYS- 292 | 4.28 | 0 | Hydrophobic |
| O | O | HOH- 514 | 3.14 | 159.77 | H-Bond (Protein Donor) |
