MolNFT v1 · #173395 · protein

Crystal structure of CK2 bound by compound 7

7AY9: “Crystal structure of CK2 bound by compound 7”. X-ray diffraction, 2 ligands (S92, SO4). MolNFT v1 #173395 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 7AY9
Type: protein
Length: 662 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt: P68400
Ligands: S92, SO4

Structure

x-ray diffraction · 1 distinct chain.

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	—	protein	331	—	P68400

Ligands and binding sites

S92 · 7-(cyclopropylamino)-5-(5-(6-oxo-1,6-dihydropyridin-3-yl)-1-(2-(piperidin-1-yl)ethyl)-1H-1,2,3-triazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile · ligand · 2 copies · chains A, B
SO4 · Sulfate ion · ion · 11 copies · chains A, B
EDO · 1,2-ethanediol · additive · 24 copies · chains A, B

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

Compared structures

7AY9 · Crystal structure of CK2 bound by compound 7 · 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 1.00

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt P68400
Elsewhere: RCSB PDB 7AY9 · PDBe 7AY9 · UniProt P68400

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