MolNFT v1 · #68390 · protein
Crystal structure of a mutant of human protein kinase CK2ALPHA with altered cosubstrate specificity
3JUH · Casein kinase II subunit alpha: “Crystal structure of a mutant of human protein kinase CK2ALPHA with altered cosubstrate specificity”. X-ray diffraction, 2 ligands (ANP, CL), 8 pockets (best druggability 0.87). MolNFT v1 #68390 on…
- PDB
- 3JUH
- 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
- ANP, CL
- Pockets
- 8 · best druggability 0.87
Structure
x-ray diffraction · 1 distinct chain · 41% 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 | 41% helix, 15% strand | P68400 |
Ligands and binding sites
- ANP · Phosphoaminophosphonic acid-adenylate ester · ligand · 2 copies · chains A, B
- CL · Chloride ion · ion · 6 copies · chains A, B
- GOL · Glycerol · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1013 | 0.87 | 0.88 | 98 | empty |
| 2 | 360 | 0.70 | 0.83 | 51 | CL, ANP |
| 3 | 479 | 0.70 | 0.80 | 39 | CL, ANP |
| 4 | 75 | 0.55 | 0.87 | 26 | CL |
| 5 | 151 | 0.53 | 0.80 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 1371 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 3JUH · Crystal structure of a mutant of human protein kinase CK2alpha with altered cosubstrate… · 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 0.97
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 3JUH · PDBe 3JUH · UniProt P68400
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