MolNFT v1 · #129728 · protein
The crystal structure of CK2ALPHA in complex with compound 23
5OSZ · Casein kinase II subunit alpha: “The crystal structure of CK2ALPHA in complex with compound 23”. X-ray diffraction, 1 ligand (AHK), 4 pockets (best druggability 0.79). MolNFT v1 #129728 on GenesisL1: 3D structure, binding sites and…
- PDB
- 5OSZ
- Type
- protein
- Length
- 327 residues
- Chains
- 1
- 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
- AHK
- Pockets
- 4 · best druggability 0.79
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Casein kinase II subunit alpha (EC 2.7.11.1) | protein | 327 | 40% helix, 15% strand | P68400 |
Ligands and binding sites
- AHK · 2-(1~{H}-benzimidazol-2-yl)ethyl-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]azanium · ligand · 3 copies · chains A
- ACT · Acetate ion · additive · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 349 | 0.79 | 0.89 | 49 | ACT, AHK |
| 2 | 58 | 0.57 | 0.89 | 13 | AHK |
| 3 | 62 | 0.44 | 0.83 | 17 | ACT |
| 4 | 63 | 0.36 | 0.77 | 16 | AHK |
Compared structures
- 5OSZ · The crystal structure of CK2alpha in complex with compound 23 · 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 0.97
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 5OSZ · PDBe 5OSZ · UniProt P68400
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