MolNFT v1 · #129525 · protein
High-salt structure of protein kinase CK2 catalytic subunit (isoform CK2ALPHA) in complex with the indenoindole-type inhibitor 4P
5OMY · Casein kinase II subunit alpha: “High-salt structure of protein kinase CK2 catalytic subunit (isoform CK2ALPHA) in complex with the…”. X-ray diffraction, 2 ligands (9YE, CL), 2 pockets (best druggability 0.69). MolNFT v1 #129525 on…
- PDB
- 5OMY
- Type
- protein
- Length
- 332 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
- 9YE, CL
- Pockets
- 2 · best druggability 0.69
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Casein kinase II subunit alpha (EC 2.7.11.1) | protein | 332 | 41% helix, 16% strand | P68400 |
Ligands and binding sites
- 9YE · 4-(3-methylbut-2-enoxy)-5-propan-2-yl-7,8-dihydro-6~{H}-indeno[1,2-b]indole-9,10-dione · ligand · chains A
- CL · Chloride ion · ion · 5 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 426 | 0.69 | 0.80 | 60 | 9YE, CL |
| 2 | 52 | 0.30 | 0.76 | 13 | empty |
Compared structures
- 5OMY · High-salt structure of protein kinase CK2 catalytic subunit (isoform CK2ALPHA) in complex… · 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 0.98
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 5OMY · PDBe 5OMY · UniProt P68400
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