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The crystal structure of CK2ALPHA in complex with compound 25

Analyse The crystal structure of CK2ALPHA in complex with compound 25 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5OTD
Type
protein
Length
651 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
P68400
Ligands
AOW, PO4

Structure

x-ray diffraction · 2 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
B—protein324—P68400
A—protein327—P68400

Ligands and binding sites

  • AOW · [2-[2-[[3-chloranyl-4-(2-ethylphenyl) phenyl]methylamino]ethyl]-3~{H}-benzimidazol-4-yl]-oxidanyl-oxidanylidene-azanium · ligand · 2 copies · chains B, A
  • PO4 · Phosphate ion · ion · 2 copies · chains B, A
  • ACT · Acetate ion · additive · 4 copies · chains B, A
  • PEG · Di(hydroxyethyl)ether · additive · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Compared structures

  • 5OTD · The crystal structure of CK2alpha in complex with compound 25 · the same entry in another collection · chain B against B, 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 B against A, TM-score 0.99

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