sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.220 Å
X-ray
2001-05-23
| 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 |
|---|---|
| B | 100 % |
| B-Factor: | 39.389 |
|---|---|
| Number of residues: | 22 |
| Including | |
| Standard Amino Acids: | 22 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.120 | 425.250 |
| % Hydrophobic | % Polar |
|---|---|
| 61.90 | 38.10 |
| According to VolSite | |
| HET Code: | TBS |
|---|---|
| Formula: | C6HBr4N3 |
| Molecular weight: | 434.708 g/mol |
| DrugBank ID: | DB04462 |
| Buried Surface Area: | 69.11 % |
| Polar Surface area: | 41.57 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 2 |
| H-Bond Donors: | 1 |
| Rings: | 2 |
| Aromatic rings: | 2 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 0 |
| X | Y | Z |
|---|---|---|
| 30.5299 | 25.1378 | 27.0311 |
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 |
| BR12 | CG2 | VAL- 45 | 4.34 | 0 | Hydrophobic |
| BR12 | CG1 | VAL- 53 | 4.48 | 0 | Hydrophobic |
| C1 | CG1 | VAL- 53 | 3.8 | 0 | Hydrophobic |
| C3 | CG2 | VAL- 53 | 3.51 | 0 | Hydrophobic |
| BR10 | CG2 | ILE- 66 | 3.94 | 0 | Hydrophobic |
| BR11 | CD1 | ILE- 66 | 4.04 | 0 | Hydrophobic |
| C4 | CG2 | ILE- 66 | 4.22 | 0 | Hydrophobic |
| N9 | NZ | LYS- 68 | 3.44 | 140.72 | H-Bond (Protein Donor) |
| BR10 | CG2 | VAL- 95 | 4.09 | 0 | Hydrophobic |
| BR10 | CD2 | PHE- 113 | 4.34 | 0 | Hydrophobic |
| BR11 | CB | VAL- 116 | 4.39 | 0 | Hydrophobic |
| BR12 | CB | ASN- 118 | 4.24 | 0 | Hydrophobic |
| BR12 | CE | MET- 163 | 3.68 | 0 | Hydrophobic |
| C2 | CE | MET- 163 | 4.05 | 0 | Hydrophobic |
| BR10 | CG2 | ILE- 174 | 3.81 | 0 | Hydrophobic |
| C7 | CD1 | ILE- 174 | 3.83 | 0 | Hydrophobic |
