› 7qpv

X-ray diffraction
2.3Å resolution

Discovery of Lu AF11167, a Phosphodiesterase 10A inhibitor clinical candidate

Released:
DOI: 10.2210/pdb7qpv/pdb
PDB entry 7qpv coloured by chain, front view.
PDB entry 7qpv coloured by chain, side view.
PDB entry 7qpv coloured by chain, top view.
Source organism: Homo sapiens
Entry authors: Leonard PM, Langgard M

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: 340 amino acids
Theoretical weight: 39.63 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: Q9Y233 (Residues: 708-1040; Coverage: 32%)
Gene name: PDE10A

Ligands and Environments

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

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-007 HF
Spacegroup: P212121
Unit cell:
a: 49.52Å b: 81.55Å c: 159.86Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.23 0.227 0.278
Expression system: Spodoptera frugiperda

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