Pkg II'S carboxyl terminal cyclic nucleotide binding domain (cnb-B) in a complex with 8-br-cgmp

Structure

x-ray diffraction · 1 distinct chain · 41% helix, 27% strand (DSSP).

Ligands and binding sites

• 6J7 · 2-amino-8-bromo-9-[(2R,4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxotetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-1,9-dihydro-6H-purin-6-one · ligand · chains A
• CA · Calcium ion · metal · 4 copies · chains A
• NA · Sodium ion · metal · chains A
• EDO · 1,2-ethanediol · additive · 5 copies · chains A
• PE5 · 3,6,9,12,15,18,21,24-octaoxahexacosan-1-ol · 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

• 5JIX · PKG II's Carboxyl Terminal Cyclic Nucleotide Binding Domain (CNB-B) in a complex with… · the same entry in another collection · chain A against A, TM-score 1.00
• Q13237 · AlphaFold monomer V2.0 prediction for cgmp-dependent protein kinase 2 (Q13237) · a predicted model of the same protein · chain A against A, TM-score 0.81

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 Q13237
• Elsewhere: RCSB PDB 5JIX · PDBe 5JIX · UniProt Q13237