Research workbench
Structure of protein kinase CK2 catalytic subunit (isoform CK2ALPHA'; CSNK2A2 gene product) in complex with the benzotriazole-type inhibitor MB002
Analyse Structure of protein kinase CK2 catalytic subunit (isoform CK2ALPHA'; CSNK2A2… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6HMQ
- 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'
- UniProt
- P19784
- Ligands
- 4B0, NA, CL
- Pockets
- 2 · best druggability 0.65
Structure
x-ray diffraction · 1 distinct chain · 43% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Casein kinase II subunit alpha' | protein | 327 | 43% helix, 16% strand | P19784 |
Ligands and binding sites
- 4B0 · 3-(4,5,6,7-tetrabromo-1H-benzotriazol-1-yl)propan-1-ol · ligand · chains A
- NA · Sodium ion · metal · chains A
- CL · Chloride ion · ion · 2 copies · chains A
- EDO · 1,2-ethanediol · additive · 10 copies · chains A
- TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · 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 | 311 | 0.65 | 0.81 | 36 | TRS, 4B0 |
| 2 | 64 | 0.34 | 0.77 | 19 | empty |
Compared structures
- 6HMQ · 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 6HMQ · PDBe 6HMQ · UniProt P19784
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