› 5k9r

X-ray diffraction
2.7Å resolution

PDE10a with imidazopyrazine inhibitor

Released:
DOI: 10.2210/pdb5k9r/pdb
PDB entry 5k9r coloured by chain, front view.
PDB entry 5k9r coloured by chain, side view.
PDB entry 5k9r coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Discovery of novel potent imidazo[1,2-b]pyridazine PDE10a inhibitors.
Meegalla SK, Huang H, Illig CR, Parks DJ, Chen J, Lee YK, Wilson KJ, Patel SK, Cheung WS, Lu T, Kirchner T, Askari HB, Geisler J, Patch RJ, Gibbs AC, Rady B, Connelly M, Player MR
Bioorg Med Chem Lett 26 4216-22 (2016)
PMID: 27491708

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: 312 amino acids
Theoretical weight: 36.13 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q9Y233 (Residues: 724-1035; Coverage: 30%)
Gene name: PDE10A
Structure domains: 3'5'-cyclic nucleotide phosphodiesterase, catalytic domain

Ligands and Environments

3 bound ligands:
Ligand ZN 2 x ZN
Ligand MG 2 x MG
Ligand 6RC 2 x 6RC
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU
Spacegroup: P212121
Unit cell:
a: 49.46Å b: 81.2Å c: 160.15Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.241 0.236 0.322
Expression system: Escherichia coli

Quick links

Citations

1 review citation

Advances in Discovery of PDE10A Inhibitors for CNS-Related Disorders. Part 1: Overview of the Chemical and Biological Research.
Jankowska et al. (2019)
1 other article