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Crystal structure of P8C9 bound to CK2alpha

Analyse Crystal structure of P8C9 bound to CK2alpha in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6YZH
Type
protein
Length
353 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
1.19
Source
Homo sapiens
Molecule
Casein kinase II subunit alpha; P8C9
EC
2.7.11.1
UniProt
P68400
Ligands
ADP, MG, NA
Pockets
2 · best druggability 0.67

Structure

x-ray diffraction · resolution 1.19 · 2 distinct chains · 39% helix, 18% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACasein kinase II subunit alpha (EC 2.7.11.1)protein34440% helix, 17% strandP68400
DP8C9protein90% helix, 44% strand—

Ligands and binding sites

  • ADP · Adenosine-5'-diphosphate · ligand · chains A
  • MG · Magnesium ion · metal · 2 copies · chains A
  • NA · Sodium ion · metal · chains A
  • GOL · Glycerol · 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.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14190.670.7941MG, ADP
2590.370.7915empty

Interfaces

1 interface between chains.

  • A–D · 509 Ų buried · 4 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 modified (nonstandard).

Compared structures

  • 6YZH · Crystal structure of P8C9 bound to CK2ALPHA · 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 0.95

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