› 4nw7

X-ray diffraction
2.15Å resolution

PDE4 catalytic domain

Released:
DOI: 10.2210/pdb4nw7/pdb
PDB entry 4nw7 coloured by chain, front view.
PDB entry 4nw7 coloured by chain, side view.
PDB entry 4nw7 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Discovery of triazines as selective PDE4B versus PDE4D inhibitors.
Hagen TJ, Mo X, Burgin AB, Fox D, Zhang Z, Gurney ME
Bioorg Med Chem Lett 24 4031-4 (2014)
PMID: 24998378

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: 372 amino acids
Theoretical weight: 42.81 KDa
Source organism: Homo sapiens
Expression system: Homo sapiens
UniProt:
  • Canonical: Q07343 (Residues: 324-691; Coverage: 50%)
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 NA 1 x NA
Ligand 2O5 1 x 2O5
Ligand EDO 6 x EDO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-D
Spacegroup: P42
Unit cell:
a: 98.58Å b: 98.58Å c: 47.57Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.158 0.155 0.207
Expression system: Homo sapiens

Quick links

Citations

5 review citations

Therapeutic targeting of 3',5'-cyclic nucleotide phosphodiesterases: inhibition and beyond.
Baillie et al. (2019)
4 more

3 mentions without citation

Guidelines for the successful generation of protein-ligand complex crystals.
Müller I. (2017)
2 more