› 4dff

X-ray diffraction
2.11Å resolution

The SAR development of dihydroimidazoisoquinoline derivatives as phosphodiesterase 10A inhibitors for the treatment of schizophrenia

Released:
DOI: 10.2210/pdb4dff/pdb
PDB entry 4dff coloured by chain, front view.
PDB entry 4dff coloured by chain, side view.
PDB entry 4dff coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
The SAR development of dihydroimidazoisoquinoline derivatives as phosphodiesterase 10A inhibitors for the treatment of schizophrenia.
Ho GD, Michael Seganish W, Bercovici A, Tulshian D, Greenlee WJ, Van Rijn R, Hruza A, Xiao L, Rindgen D, Mullins D, Guzzi M, Zhang X, Bleickardt C, Hodgson R
Bioorg Med Chem Lett 22 2585-9 (2012)
PMID: 22377514

Function and Biology Details

Reaction catalysed: 
Nucleoside 3',5'-cyclic phosphate + H(2)O = nucleoside 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-195088 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A Chains: A, B
Molecule details ›
Chains: A, B
Length: 352 amino acids
Theoretical weight: 40.5 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: Q9Y233 (Residues: 708-714, 715-1055; Coverage: 33%)
Gene name: PDE10A
Structure domains: 3'5'-cyclic nucleotide phosphodiesterase, catalytic domain

Ligands and Environments

3 bound ligands:
Ligand MG 2 x MG
Ligand ZN 2 x ZN
Ligand 0JP 1 x 0JP
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-F
Spacegroup: P212121
Unit cell:
a: 48.654Å b: 81.177Å c: 153.323Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.192 0.19 0.223
Expression system: Spodoptera frugiperda

Quick links

Citations

4 review citations

Advances in targeting cyclic nucleotide phosphodiesterases.
Maurice et al. (2014)
3 more