Crystal structure of the human CAMKK2B in complex with tae-226

Structure

x-ray diffraction · 1 distinct chain · 34% helix, 21% strand (DSSP).

Ligands and binding sites

• BI9 · 2-({5-chloro-2-[(2-methoxy-4-morpholin-4-ylphenyl) amino]pyrimidin-4-yl}amino)-N-methylbenzamide · ligand · chains A
• CL · Chloride ion · ion · chains A
• NH4 · Ammonium ion · ion · chains A
• ACT · Acetate ion · additive · 2 copies · chains A
• EDO · 1,2-ethanediol · additive · chains A

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

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Compared structures

• 6BQL · Crystal Structure of the Human CAMKK2B in complex with TAE-226 · 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 A against A, TM-score 0.97

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 Q96RR4
• Elsewhere: RCSB PDB 6BQL · PDBe 6BQL · UniProt Q96RR4