› 5sh9

X-ray diffraction
2.06Å resolution

CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH N4(c1nn(c(n1)CCc3nn2c(cnc(C)c2n3)C)C)C[C@H](F)CC4, micromolar IC50=0.010653

Released:
DOI: 10.2210/pdb5sh9/pdb
PDB entry 5sh9 coloured by chain, front view.
PDB entry 5sh9 coloured by chain, side view.
PDB entry 5sh9 coloured by chain, top view.
Source organism: Homo sapiens
Entry authors: Joseph C, Benz J, Flohr A, 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 Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
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

4 bound ligands:
Ligand ZN 4 x ZN
Ligand MG 4 x MG
Ligand JAP 4 x JAP
Ligand PG4 1 x PG4
1 modified residue:
Ligand CME 4 x CME

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X10SA
Spacegroup: R3
Unit cell:
a: 135.479Å b: 135.479Å c: 236.023Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.174 0.172 0.223
Expression system: Escherichia coli BL21(DE3)

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