› 4pm0

X-ray diffraction
2.1Å resolution

PDE7A catalytic domain in complex with 2-(Cyclopentylamino)thieno[3,2-d]pyrimidin-4(3H)-one derivative

Released:
DOI: 10.2210/pdb4pm0/pdb
PDB entry 4pm0 coloured by chain, front view.
PDB entry 4pm0 coloured by chain, side view.
PDB entry 4pm0 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Discovery of 2-(cyclopentylamino)thieno[3,2-d]pyrimidin-4(3H)-one derivatives as a new series of potent phosphodiesterase 7 inhibitors.
Kawai K, Endo Y, Asano T, Amano S, Sawada K, Ueo N, Takahashi N, Sonoda Y, Nagai M, Kamei N, Nagata N
J Med Chem 57 9844-54 (2014)
PMID: 25383422

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-171839 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
High affinity 3',5'-cyclic-AMP phosphodiesterase 7A Chain: A
Molecule details ›
Chain: A
Length: 389 amino acids
Theoretical weight: 44.5 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q13946 (Residues: 130-482; Coverage: 73%)
Gene name: PDE7A
Sequence domains: 3'5'-cyclic nucleotide phosphodiesterase
Structure domains: 3'5'-cyclic nucleotide phosphodiesterase, catalytic domain

Ligands and Environments

3 bound ligands:
Ligand ZN 1 x ZN
Ligand MG 1 x MG
Ligand 32V 1 x 32V
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-007 HF
Spacegroup: P3121
Unit cell:
a: 116.187Å b: 116.187Å c: 64.458Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.174 0.172 0.218
Expression system: Escherichia coli

Quick links

Citations

3 citation in other articles

Design and synthesis of novel annulated thienopyrimidines as phosphodiesterase 5 (PDE5) inhibitors.
El-Sharkawy et al. (2018)
2 more

1 mention without citation

The HD-Domain Metalloprotein Superfamily: An Apparent Common Protein Scaffold with Diverse Chemistries.
Langton et al. (2020)