Crystal structure of human phosphodiesterase 4B (PDE4B) in complex with a [1,3,5]TRIAZINE derivative

Structure

x-ray diffraction · 1 distinct chain · 66% helix, 1% strand (DSSP).

Ligands and binding sites

• 1S1 · 2-ethyl-2-{[4-(methylamino)-6-(1H-1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino}butanenitrile · ligand · chains A
• MG · Magnesium ion · metal · chains A
• ZN · Zinc ion · metal · chains A
• EDO · 1,2-ethanediol · additive · 19 copies · chains A

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

Pockets

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

Compared structures

• 4KP6 · Crystal structure of human phosphodiesterase 4B (PDE4B) in complex with a [1,3,5]triazine… · 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 0.99

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 4KP6 · PDBe 4KP6 · UniProt Q07343