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Crystal structure of the human CAMKK2B in complex with AP26113-analog (ALK-in-1)

Analyse Crystal structure of the human CAMKK2B in complex with AP26113-analog (ALK-in-1) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6BRC
Type
protein
Length
525 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
Q96RR4
Ligands
E5J, NA

Structure

x-ray diffraction · 2 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein265—Q96RR4
B—protein260—Q96RR4

Ligands and binding sites

  • E5J · 5-chloro-N~2~-{4-[4-(dimethylamino)piperidin-1-yl]-2-methoxyphenyl}-N~4~-[2-(dimethylphosphoryl) phenyl]pyrimidine-2,4-diamine · ligand · 2 copies · chains A, B
  • NA · Sodium ion · metal · chains B

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

Compared structures

  • 6BRC · Crystal Structure of the Human CAMKK2B in complex with AP26113-analog (ALK-IN-1) · the same entry in another collection · chain A against A, TM-score 1.00
  • Q96RR4 · AlphaFold monomer V2.0 prediction for CALCIUM/CALMODULIN-dependent protein kinase kinase… · a predicted model of the same protein · chain B against A, TM-score 0.99

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