› 4p1r

X-ray diffraction
2.24Å resolution

Crystal Structure of PDE10A with Imidazo[4,5-b]pyridines as Potent and Selective Inhibitors

Released:
DOI: 10.2210/pdb4p1r/pdb
PDB entry 4p1r coloured by chain, front view.
PDB entry 4p1r coloured by chain, side view.
PDB entry 4p1r coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Discovery of Novel Imidazo[4,5-b]pyridines as Potent and Selective Inhibitors of Phosphodiesterase 10A (PDE10A).
Hu E, Andrews K, Chmait S, Zhao X, Davis C, Miller S, Hill Della Puppa G, Dovlatyan M, Chen H, Lester-Zeiner D, Able J, Biorn C, Ma J, Shi J, Treanor J, Allen JR
ACS Med Chem Lett 5 700-5 (2014)
PMID: 24944747

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:
homo trimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-195090 (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: 338 amino acids
Theoretical weight: 38.89 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q9Y233 (Residues: 718-1055; Coverage: 32%)
Gene name: PDE10A
Structure domains: 3'5'-cyclic nucleotide phosphodiesterase, catalytic domain

Ligands and Environments

4 bound ligands:
Ligand ZN 4 x ZN
Ligand SO4 26 x SO4
Ligand GOL 8 x GOL
Ligand 2KR 2 x 2KR
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU FR-E SUPERBRIGHT
Spacegroup: F23
Unit cell:
a: 252.971Å b: 252.971Å c: 252.971Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.154 0.153 0.189
Expression system: Escherichia coli

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Citations

2 review citations

Cyclobutanes in Small-Molecule Drug Candidates.
van der Kolk et al. (2022)
1 more