sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
1.960 Å
X-ray
2012-01-26
| Name: | Casein kinase II subunit alpha |
|---|---|
| ID: | CSK2A_MAIZE |
| AC: | P28523 |
| Organism: | Zea mays |
| Reign: | Eukaryota |
| TaxID: | 4577 |
| EC Number: | 2.7.11.1 |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 100 % |
| B-Factor: | 38.799 |
|---|---|
| Number of residues: | 25 |
| Including | |
| Standard Amino Acids: | 24 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 1 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 0.774 | 567.000 |
| % Hydrophobic | % Polar |
|---|---|
| 50.00 | 50.00 |
| According to VolSite | |
| HET Code: | 0JW |
|---|---|
| Formula: | C10H10N2O3 |
| Molecular weight: | 206.198 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 69.82 % |
| Polar Surface area: | 110.5 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 5 |
| H-Bond Donors: | 4 |
| Rings: | 1 |
| Aromatic rings: | 1 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 2 |
| X | Y | Z |
|---|---|---|
| 22.2453 | 7.9936 | 18.0936 |
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 |
| C6 | CG1 | VAL- 53 | 4.05 | 0 | Hydrophobic |
| C1 | CG2 | VAL- 53 | 4.34 | 0 | Hydrophobic |
| C5 | CG2 | ILE- 66 | 3.99 | 0 | Hydrophobic |
| O8 | NZ | LYS- 68 | 2.83 | 150.31 | H-Bond (Protein Donor) |
| C2 | CD | LYS- 68 | 3.89 | 0 | Hydrophobic |
| C4 | CG2 | VAL- 95 | 3.76 | 0 | Hydrophobic |
| C4 | CB | PHE- 113 | 4.23 | 0 | Hydrophobic |
| O14 | N | VAL- 116 | 3.07 | 151.06 | H-Bond (Protein Donor) |
| N12 | O | VAL- 116 | 3.2 | 144.63 | H-Bond (Ligand Donor) |
| C4 | CG2 | ILE- 174 | 3.63 | 0 | Hydrophobic |
| C6 | CD1 | ILE- 174 | 3.38 | 0 | Hydrophobic |
| C3 | CB | ILE- 174 | 3.89 | 0 | Hydrophobic |
| O8 | N | ASP- 175 | 3.15 | 126.83 | H-Bond (Protein Donor) |
| C1 | CB | ASP- 175 | 4.38 | 0 | Hydrophobic |
| O8 | O | HOH- 507 | 2.59 | 136.28 | H-Bond (Ligand Donor) |
