Research workbench
Protein kinase CK2 in complex with tetrabromobenzoimidazole derivatives K17, K22 and K32
Analyse Protein kinase CK2 in complex with tetrabromobenzoimidazole derivatives K17… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2OXY
- Type
- protein
- Length
- 654 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
- P28523
- Ligands
- K17
- Pockets
- 7 · best druggability 0.68
Structure
x-ray diffraction · 1 distinct chain · 45% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Casein kinase II subunit alpha (EC 2.7.11.1) | protein | 327 | 45% helix, 13% strand | P28523 |
Ligands and binding sites
- K17 · 4,5,6,7-tetrabromo-benzimidazole · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 444 | 0.68 | 0.79 | 46 | K17 |
| 2 | 275 | 0.63 | 0.80 | 36 | K17 |
| 3 | 88 | 0.51 | 0.83 | 21 | empty |
| 4 | 154 | 0.49 | 0.78 | 38 | empty |
| 5 | 159 | 0.41 | 0.73 | 22 | empty |
Interfaces
1 interface between chains.
- A–B · 483 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 2OXY · Protein kinase CK2 in complex with tetrabromobenzoimidazole derivatives K17, K22 and K32 · the same entry in another collection · chain A against A, TM-score 1.00
- P28523 · AlphaFold monomer V2.0 prediction for casein kinase II subunit alpha (P28523) · a predicted model of the same protein · chain B 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 P28523
- Elsewhere: RCSB PDB 2OXY · PDBe 2OXY · UniProt P28523
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