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MolNFT v2 · #129956 · protein

Low-salt structure of protein kinase CK2 catalytic subunit (isoform CK2ALPHA) in complex with the indenoindole-type inhibitor 4P

5ONI: “Low-salt structure of protein kinase CK2 catalytic subunit (isoform CK2ALPHA) in complex with the…”. X-ray diffraction at 2, 4 ligands (9YE, NA, SO4). MolNFT v2 #129956 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5ONI
Type
protein
Length
668 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
2
Source
Homo sapiens
UniProt
P68400
Ligands
9YE, NA, SO4, CL

Structure

x-ray diffraction · resolution 2 · 1 distinct chain.

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B—protein334—P68400

Ligands and binding sites

  • 9YE · 4-(3-methylbut-2-enoxy)-5-propan-2-yl-7,8-dihydro-6~{H}-indeno[1,2-b]indole-9,10-dione · ligand · 2 copies · chains A, B
  • NA · Sodium ion · metal · chains A
  • SO4 · Sulfate ion · ion · 10 copies · chains A, B
  • CL · Chloride ion · ion · 2 copies · chains B
  • BU1 · 1,4-butanediol · additive · chains B

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

Compared structures

  • 5ONI · Low-salt structure of protein kinase CK2 catalytic subunit (isoform CK2ALPHA) in complex… · 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 B against A, TM-score 0.99

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