MolNFT v1 · #107470 · protein
Low-salt structure of protein kinase CK2 catalytic subunit with 4'- carboxy-6,8-bromo-flavonol (FLC26)
4UBA · Casein kinase II subunit alpha: “Low-salt structure of protein kinase CK2 catalytic subunit with 4'- carboxy-6,8-bromo-flavonol (FLC26)”. X-ray diffraction, 1 ligand (3G5), 4 pockets (best druggability 0.82). MolNFT v1 #107470 on…
- PDB
- 4UBA
- Type
- protein
- Length
- 666 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
- 3G5
- Pockets
- 4 · best druggability 0.82
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Casein kinase II subunit alpha (EC 2.7.11.1) | protein | 333 | 38% helix, 15% strand | P68400 |
Ligands and binding sites
- 3G5 · 4-(6,8-dibromo-3-hydroxy-4-oxo-4H-chromen-2-yl)benzoic acid · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1013 | 0.82 | 0.83 | 101 | 3G5 |
| 2 | 366 | 0.66 | 0.80 | 42 | 3G5 |
| 3 | 152 | 0.56 | 0.81 | 27 | empty |
| 4 | 94 | 0.44 | 0.79 | 24 | empty |
Interfaces
1 interface between chains.
- A–B · 516 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 4UBA · Low-salt structure of protein kinase CK2 catalytic subunit with… · 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 4UBA · PDBe 4UBA · UniProt P68400
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