MolNFT v1 · #129719 · protein
The crystal structure of CK2ALPHA in complex with an analogue of compound 1
5OSP · Casein kinase II subunit alpha: “The crystal structure of CK2ALPHA in complex with an analogue of compound 1”. X-ray diffraction, 2 ligands (ATP, A9W), 2 pockets (best druggability 0.75). MolNFT v1 #129719 on GenesisL1: 3D…
- PDB
- 5OSP
- Type
- protein
- Length
- 327 residues
- Chains
- 1
- 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
- ATP, A9W
- Pockets
- 2 · best druggability 0.75
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Casein kinase II subunit alpha (EC 2.7.11.1) | protein | 327 | 42% helix, 15% strand | P68400 |
Ligands and binding sites
- ATP · Adenosine-5'-triphosphate · ligand · chains A
- A9W · [3-chloranyl-4-(5-methyl-2-oxidanyl-phenyl) phenyl]methylazanium · ligand · chains A
- ACT · Acetate ion · additive · 4 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 532 | 0.75 | 0.82 | 66 | ATP, ACT, A9W |
| 2 | 58 | 0.29 | 0.74 | 13 | empty |
Compared structures
- 5OSP · The crystal structure of CK2alpha in complex with an analogue of compound 1 · 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 5OSP · PDBe 5OSP · UniProt P68400
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