Research workbench
Crystal structure of human CK2 alpha in complex with quinalizarin at pH 6.5
Analyse Crystal structure of human CK2 alpha in complex with quinalizarin at pH 6.5 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3Q9Z
- Type
- protein
- Length
- 664 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
- TXQ, NA, SO4
- Pockets
- 8 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 43% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Casein kinase II subunit alpha (EC 2.7.11.1) | protein | 332 | 43% helix, 16% strand | P68400 |
Ligands and binding sites
- TXQ · 1,2,5,8-tetrahydroxyanthracene-9,10-dione · ligand · 2 copies · chains A, B
- NA · Sodium ion · metal · chains B
- SO4 · Sulfate ion · ion · 6 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 2 copies · 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, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1128 | 0.76 | 0.78 | 92 | SO4, TXQ |
| 2 | 194 | 0.65 | 0.84 | 27 | TXQ |
| 3 | 50 | 0.63 | 0.94 | 19 | empty |
| 4 | 346 | 0.58 | 0.76 | 41 | empty |
| 5 | 58 | 0.40 | 0.80 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 410 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 3Q9Z · Crystal structure of human CK2 alpha in complex with Quinalizarin at pH 6.5 · the same entry in another collection · chain B against B, 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 3Q9Z · PDBe 3Q9Z · UniProt P68400
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.