sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
1.970 Å
X-ray
2010-06-30
| Name: | Serine/threonine-protein kinase 25 |
|---|---|
| ID: | STK25_HUMAN |
| AC: | O00506 |
| 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: | 42.634 |
|---|---|
| Number of residues: | 32 |
| Including | |
| Standard Amino Acids: | 32 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.336 | 664.875 |
| % Hydrophobic | % Polar |
|---|---|
| 51.27 | 48.73 |
| According to VolSite | |
| HET Code: | J60 |
|---|---|
| Formula: | C22H28ClN4O2 |
| Molecular weight: | 415.936 g/mol |
| DrugBank ID: | DB08009 |
| Buried Surface Area: | 49.58 % |
| 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 |
|---|---|---|
| -3.98938 | -9.74369 | -20.7673 |
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 |
| CAR | CB | ILE- 26 | 4.33 | 0 | Hydrophobic |
| CAE | CG1 | VAL- 34 | 3.95 | 0 | Hydrophobic |
| CL | CG2 | VAL- 34 | 4.27 | 0 | Hydrophobic |
| CAE | CB | ALA- 47 | 4.41 | 0 | Hydrophobic |
| CAC | CB | ALA- 47 | 4.41 | 0 | Hydrophobic |
| CAC | CG2 | THR- 79 | 4.17 | 0 | Hydrophobic |
| CAB | CE | MET- 95 | 3.73 | 0 | Hydrophobic |
| CAC | CB | MET- 95 | 4.08 | 0 | Hydrophobic |
| NAH | O | GLU- 96 | 2.82 | 167.91 | H-Bond (Ligand Donor) |
| CAR | CZ | TYR- 97 | 3.76 | 0 | Hydrophobic |
| OAJ | N | LEU- 98 | 3.02 | 166.03 | H-Bond (Protein Donor) |
| CAC | CD1 | LEU- 147 | 4.32 | 0 | Hydrophobic |
| CAE | CD1 | LEU- 147 | 3.37 | 0 | Hydrophobic |
| CAA | CB | ALA- 157 | 4.22 | 0 | Hydrophobic |
| CL | CB | ASP- 158 | 4.17 | 0 | Hydrophobic |
