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Human protein kinase CK2 alpha in complex with boldine

Analyse Human protein kinase CK2 alpha in complex with boldine in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6HNY
Type
protein
Length
328 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
1.65
Source
Homo sapiens
Molecule
Casein kinase II subunit alpha
EC
2.7.11.1
UniProt
P68400
Ligands
GHT, SO4
Pockets
3 · best druggability 0.66

Structure

x-ray diffraction · resolution 1.65 · 1 distinct chain · 40% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACasein kinase II subunit alpha (EC 2.7.11.1)protein32840% helix, 15% strandP68400

Ligands and binding sites

  • GHT · Boldine · ligand · chains A
  • SO4 · Sulfate ion · ion · 3 copies · 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

3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13760.660.8050GHT
2590.440.8318empty
3570.290.7413empty

Compared structures

  • 6HNY · Human protein kinase CK2 alpha in complex with boldine · 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 0.99

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