MolNFT v1 · #158858 · protein
Crystal structure of CKA1P, a casein kinase 2 alpha ortholog from candida albicans
6O6Q · Casein kinase 2 catalytic subunit: “Crystal structure of CKA1P, a casein kinase 2 alpha ortholog from candida albicans”. X-ray diffraction, 3 ligands (AMP, CL, SO4), 10 pockets (best druggability 0.68). MolNFT v1 #158858 on…
- PDB
- 6O6Q
- Type
- protein
- Length
- 651 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Casein kinase 2 catalytic subunit
- UniProt
- A0A1D8PUA2
- Ligands
- AMP, CL, SO4
- Pockets
- 10 · best druggability 0.68
Structure
x-ray diffraction · 2 distinct chains · 39% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Casein kinase 2 catalytic subunit | protein | 326 | 38% helix, 15% strand | A0A1D8PUA2 |
| B | Casein kinase 2 catalytic subunit | protein | 325 | 39% helix, 14% strand | A0A1D8PUA2 |
Ligands and binding sites
- AMP · Adenosine monophosphate · ligand · 2 copies · chains A, B
- CL · Chloride ion · ion · 8 copies · chains A, B
- SO4 · Sulfate ion · ion · 2 copies · chains A
- GOL · Glycerol · additive · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 404 | 0.68 | 0.80 | 54 | AMP, CL |
| 2 | 337 | 0.64 | 0.79 | 40 | AMP |
| 3 | 284 | 0.51 | 0.74 | 43 | CL, GOL |
| 4 | 111 | 0.39 | 0.75 | 22 | empty |
| 5 | 102 | 0.39 | 0.76 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 464 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 6O6Q · Crystal structure of Cka1p, a casein kinase 2 alpha ortholog from Candida albicans · the same entry in another collection · chain A against A, TM-score 1.00
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 A0A1D8PUA2
- Elsewhere: RCSB PDB 6O6Q · PDBe 6O6Q · UniProt A0A1D8PUA2
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