Structure of a nucleotide-bound form of pkciota core kinase domain

Structure

x-ray diffraction · 1 distinct chain · 37% helix, 15% strand (DSSP).

Ligands and binding sites

• ACP · Phosphomethylphosphonic acid adenylate ester · ligand · chains A
• FMT · Formic acid · additive · 7 copies · chains A
• PEG · Di(hydroxyethyl)ether · additive · 3 copies · chains A
• ACT · Acetate ion · additive · 2 copies · chains A
• IMD · Imidazole · additive · chains A
• MRD · (4R)-2-methylpentane-2,4-diol · additive · chains A

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

Pockets

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

Modifications

Observed in the structure: 2 modified (phosphorylation).

Compared structures

• 5LI9 · Structure of a nucleotide-bound form of PKCiota core kinase domain · the same entry in another collection · chain A against A, TM-score 1.00
• P41743 · AlphaFold monomer V2.0 prediction for protein kinase C iota type (P41743) · a predicted model of the same protein · chain A against A, TM-score 0.98

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 P41743
• Elsewhere: RCSB PDB 5LI9 · PDBe 5LI9 · UniProt P41743