› 3frg

X-ray diffraction
1.7Å resolution

Catalytic Domain of Human Phosphodiesterase 4B2B in Complex with a Quinoline Inhibitor

Released:
DOI: 10.2210/pdb3frg/pdb
PDB entry 3frg coloured by chain, front view.
PDB entry 3frg coloured by chain, side view.
PDB entry 3frg coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Quinolines as a novel structural class of potent and selective PDE4 inhibitors: optimisation for oral administration.
Lunniss CJ, Cooper AW, Eldred CD, Kranz M, Lindvall M, Lucas FS, Neu M, Preston AG, Ranshaw LE, Redgrave AJ, Ed Robinson J, Shipley TJ, Solanke YE, Somers DO, Wiseman JO
Bioorg Med Chem Lett 19 1380-5 (2009)
PMID: 19195882

Function and Biology Details

Reaction catalysed: 
Adenosine 3',5'-cyclic phosphate + H(2)O = adenosine 5'-phosphate
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assemblies composition:
homo dimer
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-170460 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
3',5'-cyclic-AMP phosphodiesterase 4B Chain: A
Molecule details ›
Chain: A
Length: 353 amino acids
Theoretical weight: 40.58 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: Q07343 (Residues: 324-675; Coverage: 48%)
Gene names: DPDE4, PDE4B
Sequence domains: 3'5'-cyclic nucleotide phosphodiesterase
Structure domains: 3'5'-cyclic nucleotide phosphodiesterase, catalytic domain

Ligands and Environments

5 bound ligands:
Ligand SK4 1 x SK4
Ligand ZN 1 x ZN
Ligand MG 1 x MG
Ligand ARS 3 x ARS
Ligand GOL 2 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID14-4
Spacegroup: I212121
Unit cell:
a: 88.485Å b: 94.831Å c: 105.32Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.21 0.209 0.242
Expression system: Spodoptera frugiperda

Quick links

Citations

3 review citations

PDE4 inhibitors: a review of current developments (2005 - 2009).
Pagès et al. (2009)
2 more

3 mentions without citation

Fragment-based screening for inhibitors of PDE4A using enthalpy arrays and X-ray crystallography.
Recht et al. (2012)
2 more