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Crystal structure of human protein kinase CK2alpha (CSNK2A1 gene product) in complex with the 2-aminothiazole-type inhibitor 17
Analyse Crystal structure of human protein kinase CK2alpha (CSNK2A1 gene product) in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6TEI
- Type
- protein
- Length
- 663 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.756
- Source
- Homo sapiens
- Molecule
- Casein kinase II subunit alpha
- EC
- 2.7.11.1
- UniProt
- P68400
- Ligands
- N4N, SO4
- Pockets
- 6 · best druggability 0.79
Structure
x-ray diffraction · resolution 1.756 · 2 distinct chains · 42% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Casein kinase II subunit alpha (EC 2.7.11.1) | protein | 331 | 42% helix, 15% strand | P68400 |
| B | Casein kinase II subunit alpha (EC 2.7.11.1) | protein | 332 | 42% helix, 15% strand | P68400 |
Ligands and binding sites
- N4N · 3-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]benzoic acid · ligand · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 850 | 0.79 | 0.82 | 89 | N4N |
| 2 | 360 | 0.69 | 0.82 | 48 | N4N |
| 3 | 111 | 0.47 | 0.79 | 25 | empty |
| 4 | 72 | 0.35 | 0.76 | 13 | empty |
| 5 | 52 | 0.33 | 0.78 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 440 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 6TEI · Crystal structure of human protein kinase CK2ALPHA (CSNK2A1 gene product) in complex with… · the same entry in another collection · chain A against A, TM-score 1.00
- P68400 · AlphaFold monomer V2.0 prediction for casein kinase II subunit alpha (P68400) · a predicted model of the same protein · chain B against A, TM-score 0.99
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt P68400
- Elsewhere: RCSB PDB 6TEI · PDBe 6TEI · UniProt P68400
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