› 6ko1

X-ray diffraction
2.7Å resolution

The crystal structue of PDE10A complexed with 2d

Released:
DOI: 10.2210/pdb6ko1/pdb
PDB entry 6ko1 coloured by chain, front view.
PDB entry 6ko1 coloured by chain, side view.
PDB entry 6ko1 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Discovery and Optimization of Chromone Derivatives as Novel Selective Phosphodiesterase 10 Inhibitors.
Yu YF, Zhang C, Huang YY, Zhang S, Zhou Q, Li X, Lai Z, Li Z, Gao Y, Wu Y, Guo L, Wu D, Luo HB
ACS Chem Neurosci 11 1058-1071 (2020)
PMID: 32105440

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: 322 amino acids
Theoretical weight: 37.29 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: Q9Y233 (Residues: 715-1035; Coverage: 30%)
Gene name: PDE10A

Ligands and Environments

3 bound ligands:
Ligand ZN 2 x ZN
Ligand MG 2 x MG
Ligand DL0 2 x DL0
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: OXFORD DIFFRACTION NOVA
Spacegroup: P212121
Unit cell:
a: 49.763Å b: 81.401Å c: 161.233Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.238 0.233 0.34
Expression system: Escherichia coli BL21

Quick links

Citations

2 citation in other articles

An expedient metal-free cascade route to chromonyl diene scaffolds: thermodynamic vs. kinetic control.
Alizadeh et al. (2022)
1 more