MolNFT v1 · #76091 · protein
Crystal structure of the apo-form of human CK2 alpha at pH 6.5
3QA0 · Casein kinase II subunit alpha: “Crystal structure of the apo-form of human CK2 alpha at pH 6.5”. X-ray diffraction, 1 ligand (SO4), 5 pockets (best druggability 0.79). MolNFT v1 #76091 on GenesisL1: 3D structure, binding sites and…
- PDB
- 3QA0
- Type
- protein
- Length
- 660 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
- SO4
- Pockets
- 5 · best druggability 0.79
Structure
x-ray diffraction · 1 distinct chain · 44% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Casein kinase II subunit alpha (EC 2.7.11.1) | protein | 330 | 44% helix, 15% strand | P68400 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 7 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 5 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 726 | 0.79 | 0.83 | 76 | SO4 |
| 2 | 413 | 0.69 | 0.80 | 44 | EDO |
| 3 | 189 | 0.61 | 0.82 | 33 | empty |
| 4 | 83 | 0.36 | 0.75 | 15 | SO4 |
| 5 | 51 | 0.32 | 0.77 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 482 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 3QA0 · Crystal structure of the apo-form of human CK2 alpha at pH 6.5 · 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 3QA0 · PDBe 3QA0 · UniProt P68400
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