MolNFT v1 · #115836 · protein
Crystal structure of CK2ALPHA
5CVH · Casein kinase II subunit alpha: “Crystal structure of CK2ALPHA”. X-ray diffraction, 3 ligands (ADP, IHP, MG), 8 pockets (best druggability 0.72). MolNFT v1 #115836 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5CVH
- Type
- protein
- Length
- 651 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
- ADP, IHP, MG
- Pockets
- 8 · best druggability 0.72
Structure
x-ray diffraction · 2 distinct chains · 40% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Casein kinase II subunit alpha (EC 2.7.11.1) | protein | 327 | 41% helix, 16% strand | P68400 |
| B | Casein kinase II subunit alpha (EC 2.7.11.1) | protein | 324 | 40% helix, 16% strand | P68400 |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · 2 copies · chains A, B
- IHP · Inositol hexakisphosphate · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 2 copies · chains A, B
- ACT · Acetate ion · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 468 | 0.72 | 0.81 | 55 | ADP, MG |
| 2 | 303 | 0.66 | 0.81 | 42 | ADP, MG |
| 3 | 386 | 0.60 | 0.76 | 37 | empty |
| 4 | 232 | 0.49 | 0.75 | 31 | empty |
| 5 | 69 | 0.39 | 0.79 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 480 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
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 5CVH · PDBe 5CVH · UniProt P68400
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