sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.090 Å
X-ray
2014-06-16
| Min | Mean | Median | Standard Deviation | Max | Count | |
|---|---|---|---|---|---|---|
| pChEMBL: | 6.420 | 6.420 | 6.420 | 0.000 | 6.420 | 1 |
| 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: | 26.304 |
|---|---|
| Number of residues: | 37 |
| Including | |
| Standard Amino Acids: | 37 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.161 | 563.625 |
| % Hydrophobic | % Polar |
|---|---|
| 55.69 | 44.31 |
| According to VolSite | |
| HET Code: | DB8 |
|---|---|
| Formula: | C26H30Cl2N5O3 |
| Molecular weight: | 531.454 g/mol |
| DrugBank ID: | DB06616 |
| Buried Surface Area: | 52.15 % |
| Polar Surface area: | 84.08 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 7 |
| H-Bond Donors: | 2 |
| Rings: | 4 |
| Aromatic rings: | 3 |
| Anionic atoms: | 0 |
| Cationic atoms: | 1 |
| Rule of Five Violation: | 1 |
| Rotatable Bonds: | 9 |
| X | Y | Z |
|---|---|---|
| -3.90881 | 1.03753 | 16.1666 |
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 |
| CAA | CG1 | ILE- 30 | 4.4 | 0 | Hydrophobic |
| CBD | CD1 | ILE- 30 | 3.57 | 0 | Hydrophobic |
| CBC | CD1 | ILE- 30 | 3.66 | 0 | Hydrophobic |
| CAJ | CG1 | VAL- 38 | 4.12 | 0 | Hydrophobic |
| CAL | CG1 | VAL- 38 | 4.34 | 0 | Hydrophobic |
| CAJ | CB | ALA- 51 | 4.32 | 0 | Hydrophobic |
| C01 | CB | ALA- 51 | 3.86 | 0 | Hydrophobic |
| CBA | CB | ALA- 51 | 4.01 | 0 | Hydrophobic |
| CL1 | CD | LYS- 53 | 4.3 | 0 | Hydrophobic |
| CAX | CB | LYS- 53 | 4.1 | 0 | Hydrophobic |
| C01 | CB | LYS- 53 | 3.62 | 0 | Hydrophobic |
| CL1 | CD1 | LEU- 74 | 4.29 | 0 | Hydrophobic |
| CL1 | CG2 | ILE- 97 | 3.88 | 0 | Hydrophobic |
| C01 | CG | MET- 99 | 3.6 | 0 | Hydrophobic |
| CAY | CG | MET- 99 | 4.19 | 0 | Hydrophobic |
| CAX | CG | MET- 99 | 3.77 | 0 | Hydrophobic |
| CAN | CE1 | TYR- 101 | 3.97 | 0 | Hydrophobic |
| NAT | N | LEU- 102 | 2.99 | 155.63 | H-Bond (Protein Donor) |
| CBA | CD1 | LEU- 151 | 3.56 | 0 | Hydrophobic |
| CL2 | CB | ALA- 161 | 4 | 0 | Hydrophobic |
| CL2 | CB | ASP- 162 | 3.77 | 0 | Hydrophobic |
