Research workbench
Crystal structure of human protein kinase CK2ALPHA (CSNK2A1 gene product) in complex with the ATP-competitive inhibitor 6-bromo-5- chloro-1H-TRIAZOLO[4,5-B]PYRIDINE
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
- 7A49
- Type
- protein
- Length
- 668 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Casein kinase II subunit alpha
- EC
- 2.7.11.1
- UniProt
- P68400
- Ligands
- QWN, SO4
- Pockets
- 4 · best druggability 0.79
Structure
x-ray diffraction · 1 distinct chain · 43% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Casein kinase II subunit alpha (EC 2.7.11.1) | protein | 334 | 43% helix, 15% strand | P68400 |
Ligands and binding sites
- QWN · 6-bromanyl-5-chloranyl-1~{H}-[1,2,3]triazolo[4,5-b]pyridine · ligand · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 10 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1192 | 0.79 | 0.80 | 114 | QWN, SO4 |
| 2 | 319 | 0.65 | 0.80 | 38 | QWN |
| 3 | 53 | 0.31 | 0.76 | 13 | empty |
| 4 | 50 | 0.31 | 0.77 | 12 | empty |
Interfaces
1 interface between chains.
- A–B · 410 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 7A49 · 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 A 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 7A49 · PDBe 7A49 · UniProt P68400
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