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MolNFT v1 · #129752 · protein

The crystal structure of CK2ALPHA in complex with an analogue of compound 22

5OTP: “The crystal structure of CK2ALPHA in complex with an analogue of compound 22”. X-ray diffraction, 1 ligand (AT8). MolNFT v1 #129752 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5OTP
Type
protein
Length
644 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
P68400
Ligands
AT8

Structure

x-ray diffraction · 2 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein327—P68400
B—protein317—P68400

Ligands and binding sites

  • AT8 · 2-[5,6-bis(chloranyl)-1~{H}-benzimidazol-2-yl]-~{N}-[[3-chloranyl-4-(2-ethylphenyl) phenyl]methyl]ethanamine · ligand · chains A
  • ACT · Acetate ion · additive · 6 copies · chains A, B
  • DMS · Dimethyl sulfoxide · additive · chains A

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

Compared structures

  • 5OTP · The crystal structure of CK2alpha in complex with an analogue of compound 22 · 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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