Crystal structure of human calcium calmodulin dependent protein kinase II delta isoform 1, camkd

Structure

x-ray diffraction · 1 distinct chain · 41% helix, 18% strand (DSSP).

Ligands and binding sites

• GVD · [4-({4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl}imino)cyclohexa-2,5-dien-1-yl]acetonitrile · ligand · 2 copies · chains A, B
• PO4 · Phosphate ion · ion · 4 copies · chains A, B
• CL · Chloride ion · ion · chains A
• EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · chains A

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

Pockets

4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Interfaces

1 interface between chains.

• A–B · 249 Ų buried · 2 hydrogen bonds · protein-protein

Compared structures

• 2VN9 · Crystal Structure of Human Calcium Calmodulin dependent Protein Kinase II delta isoform… · the same entry in another collection · chain A against A, TM-score 1.00
• Q13557 · AlphaFold monomer V2.0 prediction for CALCIUM/CALMODULIN-dependent protein kinase type II… · 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 Q13557
• Elsewhere: RCSB PDB 2VN9 · PDBe 2VN9 · UniProt Q13557