sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.630 Å
X-ray
2000-05-17
| 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: | 58.688 |
|---|---|
| Number of residues: | 28 |
| Including | |
| Standard Amino Acids: | 28 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.308 | 432.000 |
| % Hydrophobic | % Polar |
|---|---|
| 60.16 | 39.84 |
| According to VolSite | |
| HET Code: | EMO |
|---|---|
| Formula: | C15H8O5 |
| Molecular weight: | 268.221 g/mol |
| DrugBank ID: | DB07715 |
| Buried Surface Area: | 78 % |
| Polar Surface area: | 100.49 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 5 |
| H-Bond Donors: | 1 |
| Rings: | 3 |
| Aromatic rings: | 2 |
| Anionic atoms: | 2 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 0 |
| X | Y | Z |
|---|---|---|
| 43.526 | 8.24165 | 5.56725 |
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 |
| O3 | O | VAL- 45 | 3.4 | 127.08 | H-Bond (Ligand Donor) |
| C2 | CG1 | VAL- 45 | 3.92 | 0 | Hydrophobic |
| C7 | CG2 | VAL- 53 | 4.49 | 0 | Hydrophobic |
| C20 | CG1 | VAL- 53 | 4 | 0 | Hydrophobic |
| C5 | CG2 | VAL- 53 | 3.81 | 0 | Hydrophobic |
| C10 | CD | LYS- 68 | 3.52 | 0 | Hydrophobic |
| C17 | CG2 | VAL- 95 | 4.01 | 0 | Hydrophobic |
| C10 | CZ | PHE- 113 | 3.58 | 0 | Hydrophobic |
| C16 | CE2 | PHE- 113 | 3.47 | 0 | Hydrophobic |
| C2 | CB | ASN- 118 | 4.39 | 0 | Hydrophobic |
| C18 | CE | MET- 163 | 4.24 | 0 | Hydrophobic |
| C1 | SD | MET- 163 | 3.24 | 0 | Hydrophobic |
| C5 | CD1 | ILE- 174 | 3.76 | 0 | Hydrophobic |
| C7 | CD1 | ILE- 174 | 3.49 | 0 | Hydrophobic |
| C16 | CB | ILE- 174 | 3.76 | 0 | Hydrophobic |
| C8 | CB | ASP- 175 | 3.92 | 0 | Hydrophobic |
