Catalytic domain of human phosphodiesterase 4B2B in complex with a 5- heterocycle pyrazolopyridine inhibitor

Structure

x-ray diffraction · 1 distinct chain · 67% helix, 1% strand (DSSP).

Ligands and binding sites

• ZG2 · 5-[5-benzyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-oxazol-2-yl]-1-ethyl-N-(tetrahydro-2H-pyran-4-yl)-1H-pyrazolo[3,4-b]pyridin-4-amine · ligand · chains A
• ARS · Arsenic · metal · 3 copies · chains A
• ZN · Zinc ion · metal · chains A
• MG · Magnesium ion · metal · chains A
• GOL · Glycerol · 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.

Compared structures

• 3O57 · Catalytic domain of human phosphodiesterase 4b2b in complex with a 5-heterocycle… · the same entry in another collection · chain A against A, TM-score 1.00
• Q07343 · AlphaFold monomer V2.0 prediction for camp-specific 3',5'-cyclic phosphodiesterase 4B… · 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 Q07343
• Elsewhere: RCSB PDB 3O57 · PDBe 3O57 · UniProt Q07343