MolNFT v1 · #173250 · protein
Structure of protein kinase CK2 catalytic subunit (CSNK2A2 gene product) in complex with the bivalent inhibitor KN2
7ATV · Casein kinase II subunit alpha': “Structure of protein kinase CK2 catalytic subunit (CSNK2A2 gene product) in complex with the bivalent…”. X-ray diffraction, 2 ligands (RXE, CL), 2 pockets (best druggability 0.74). MolNFT v1 #173250…
- PDB
- 7ATV
- 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
- RXE, CL
- Pockets
- 2 · best druggability 0.74
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 | 328 | 41% helix, 16% strand | P19784 |
Ligands and binding sites
- RXE · ~{N}'-[2-(3,4-dichlorophenyl)ethyl]-~{N}-[4-[4,5,6,7-tetrakis(bromanyl)benzimidazol-1-yl]butyl]butanediamide · ligand · chains A
- CL · Chloride ion · ion · chains A
- EDO · 1,2-ethanediol · additive · 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 | 435 | 0.74 | 0.83 | 52 | EDO, RXE |
| 2 | 64 | 0.32 | 0.75 | 14 | empty |
Compared structures
- 7ATV · Structure of protein kinase ck2 catalytic subunit (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 7ATV · PDBe 7ATV · UniProt P19784
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