MolNFT v1 · #151385 · protein
Structure of protein kinase CK2 catalytic subunit (isoform CK2ALPHA'; CSNK2A2 gene product) in complex with the inhibitor cx-4945 (silmitasertib)
6HMB · Casein kinase II subunit alpha': “Structure of protein kinase CK2 catalytic subunit (isoform CK2ALPHA'; CSNK2A2 gene product) in complex with…”. X-ray diffraction, 2 ligands (3NG, CL), 3 pockets (best druggability 0.68). MolNFT v1…
- PDB
- 6HMB
- Type
- protein
- Length
- 328 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
- 3NG, CL
- Pockets
- 3 · best druggability 0.68
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 | 328 | 42% helix, 16% strand | P19784 |
Ligands and binding sites
- 3NG · 5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid · ligand · chains A
- CL · Chloride ion · ion · 2 copies · chains A
- EDO · 1,2-ethanediol · additive · 10 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 | 385 | 0.68 | 0.80 | 49 | EDO, 3NG |
| 2 | 65 | 0.35 | 0.77 | 19 | EDO |
| 3 | 53 | 0.34 | 0.78 | 12 | empty |
Compared structures
- 6HMB · STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA'; CSNK2A2 Gene… · 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 6HMB · PDBe 6HMB · UniProt P19784
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