› 3o57

X-ray diffraction
2Å resolution

Catalytic domain of human phosphodiesterase 4b2b in complex with a 5-heterocycle pyrazolopyridine inhibitor

Released:
DOI: 10.2210/pdb3o57/pdb
PDB entry 3o57 coloured by chain, front view.
PDB entry 3o57 coloured by chain, side view.
PDB entry 3o57 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Pyrazolopyridines as potent PDE4B inhibitors: 5-heterocycle SAR.
Mitchell CJ, Ballantine SP, Coe DM, Cook CM, Delves CJ, Dowle MD, Edlin CD, Hamblin JN, Holman S, Johnson MR, Jones PS, Keeling SE, Kranz M, Lindvall M, Lucas FS, Neu M, Solanke YE, Somers DO, Trivedi NA, Wiseman JO
Bioorg Med Chem Lett 20 5803-6 (2010)
PMID: 20732811

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

Assembly composition:
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 ZN 1 x ZN
Ligand MG 1 x MG
Ligand ARS 3 x ARS
Ligand ZG2 1 x ZG2
Ligand GOL 1 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 17-ID
Spacegroup: I212121
Unit cell:
a: 88.622Å b: 94.907Å c: 105.853Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.19 0.187 0.24
Expression system: Spodoptera frugiperda

Quick links

Citations

5 review citations

PDE4 as a target for cognition enhancement.
Richter et al. (2013)
4 more

2 mentions without citation

Identification of a Selective PDE4B Inhibitor From Bryophyllum pinnatum by Target Fishing Study and In Vitro Evaluation of Quercetin 3-O-α-L-Arabinopyranosyl-(1→2)-O-α-L-Rhamnopyranoside.
Lourenço et al. (2019)
1 more