4ajg

X-ray diffraction
2.3Å resolution

Identification and structural characterization of PDE10 fragment inhibitors

Released:
Source organism: Homo sapiens
Entry authors: Johansson P, Albert JS, Spadola L, Akerud T, Back E, Hillertz P, Horsefeld R, Scott C, Spear N, Tian G, Tigerstrom A, Aharony D, Geschwindner S

Function and Biology Details

Reaction catalysed:
Nucleoside 3',5'-cyclic phosphate + H(2)O = nucleoside 5'-phosphate
Biochemical function:
  • not assigned
Biological process:
  • not assigned
Cellular component:
  • not assigned

Structure analysis Details

Assembly composition:
monomeric (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A Chains: A, D
Molecule details ›
Chains: A, D
Length: 328 amino acids
Theoretical weight: 37.93 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q9Y233 (Residues: 439-764; Coverage: 42%)
Gene name: PDE10A
Sequence domains: 3'5'-cyclic nucleotide phosphodiesterase
Structure domains: 3'5'-cyclic nucleotide phosphodiesterase, catalytic domain

Ligands and Environments

3 bound ligands:
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID23-1
Spacegroup: P212121
Unit cell:
a: 49.609Å b: 81.466Å c: 157.198Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.216 0.213 0.277
Expression system: Escherichia coli