Research workbench
Crystal structure of Z. mays CK2 kinase alpha subunit in complex with the ATP-competitive inhibitor 4,5,6,7- tetrabromobenzotriazole
Analyse Crystal structure of Z. mays CK2 kinase alpha subunit in complex with the… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1J91
- Type
- protein
- Length
- 654 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Casein kinase II, alpha chain
- EC
- 2.7.1.37
- UniProt
- P28523
- Ligands
- TBS
- Pockets
- 8 · best druggability 0.74
Structure
x-ray diffraction · 1 distinct chain · 44% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Casein kinase II, alpha chain (EC 2.7.1.37) | protein | 327 | 44% helix, 14% strand | P28523 |
Ligands and binding sites
- TBS · 4,5,6,7-tetrabromobenzotriazole · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 278 | 0.74 | 0.87 | 44 | TBS |
| 2 | 165 | 0.70 | 0.89 | 30 | TBS |
| 3 | 109 | 0.55 | 0.84 | 22 | empty |
| 4 | 105 | 0.48 | 0.80 | 19 | empty |
| 5 | 101 | 0.46 | 0.79 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 551 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 1J91 · Crystal structure of Z. mays CK2 kinase alpha subunit in complex with the ATP-competitive… · 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 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 P28523
- Elsewhere: RCSB PDB 1J91 · PDBe 1J91 · UniProt P28523
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