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MolNFT v1 · #129679 · protein

The crystal structure of CK2ALPHA in complex with compound 3

5ORJ: “The crystal structure of CK2ALPHA in complex with compound 3”. X-ray diffraction, 4 ligands (A4Q, ADP, IHP). MolNFT v1 #129679 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5ORJ
Type
protein
Length
649 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
P68400
Ligands
A4Q, ADP, IHP, MG

Structure

x-ray diffraction · 2 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
B—protein324—P68400
A—protein325—P68400

Ligands and binding sites

  • A4Q · [3-chloranyl-4-(2-ethylphenyl)phenyl]methanamine · ligand · 3 copies · chains B, A
  • ADP · Adenosine-5'-diphosphate · ligand · 2 copies · chains B, A
  • IHP · Inositol hexakisphosphate · ligand · chains A
  • MG · Magnesium ion · metal · 5 copies · chains B, A

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

Compared structures

  • 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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