› 5si1

X-ray diffraction
1.75Å resolution

CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH C(=O)(N1CCOCC1)c5c(C(Nc3cc2nc(cn2cc3)c4ccccc4)=O)n(nc5)C, micromolar IC50=0.000072

Released:
DOI: 10.2210/pdb5si1/pdb
PDB entry 5si1 coloured by chain, front view.
PDB entry 5si1 coloured by chain, side view.
PDB entry 5si1 coloured by chain, top view.
Source organism: Homo sapiens
Entry authors: Joseph C, Benz J, Flohr A, Peters J, Rudolph MG

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 Chain: A
Molecule details ›
Chain: A
Length: 343 amino acids
Theoretical weight: 39.41 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q9Y233 (Residues: 715-1055; Coverage: 32%)
Gene name: PDE10A

Ligands and Environments

3 bound ligands:
Ligand ZN 1 x ZN
Ligand MG 1 x MG
Ligand JKO 1 x JKO
1 modified residue:
Ligand CME 1 x CME

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X10SA
Spacegroup: I23
Unit cell:
a: 142.221Å b: 142.221Å c: 142.221Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.176 0.175 0.201
Expression system: Escherichia coli BL21(DE3)

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