MolNFT v1 · #165020 · protein
Crystal structure of human protein kinase CK2ALPHA'(CSNK2A2 gene product) in complex with the 2-aminothiazole-type inhibitor cl-oh-3
6TGU · Casein kinase II subunit alpha': “Crystal structure of human protein kinase CK2ALPHA'(CSNK2A2 gene product) in complex with the…”. X-ray diffraction, 1 ligand (N92), 3 pockets (best druggability 0.66). MolNFT v1 #165020 on…
- PDB
- 6TGU
- 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
- P19784
- Ligands
- N92
- Pockets
- 3 · best druggability 0.66
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Casein kinase II subunit alpha' (EC 2.7.11.1) | protein | 327 | 42% helix, 16% strand | P19784 |
Ligands and binding sites
- N92 · 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxidanyl-benzoic acid · ligand · chains A
- EDO · 1,2-ethanediol · additive · 7 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 282 | 0.66 | 0.82 | 35 | N92 |
| 2 | 69 | 0.36 | 0.77 | 16 | empty |
| 3 | 51 | 0.28 | 0.75 | 18 | EDO |
Compared structures
- 6TGU · Crystal structure of human protein kinase CK2alpha'(CSNK2A2 gene product) in complex with… · the same entry in another collection · chain A against A, TM-score 1.00
- P19784 · AlphaFold monomer V2.0 prediction for casein kinase II subunit alpha' (P19784) · 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 P19784
- Elsewhere: RCSB PDB 6TGU · PDBe 6TGU · UniProt P19784
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