› 7cwg

X-ray diffraction
2.8Å resolution

Crystal structure of PDE8A catalytic domain in complex with 3a

Released:
DOI: 10.2210/pdb7cwg/pdb
PDB entry 7cwg coloured by chain, front view.
PDB entry 7cwg coloured by chain, side view.
PDB entry 7cwg coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Rational Design of 2-Chloroadenine Derivatives as Highly Selective Phosphodiesterase 8A Inhibitors.
Huang Y, Wu XN, Zhou Q, Wu Y, Zheng D, Li Z, Guo L, Luo HB
J Med Chem 63 15852-15863 (2020)
PMID: 33291877

Function and Biology Details

Reaction catalysed: 
Adenosine 3',5'-cyclic phosphate + H(2)O = adenosine 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-130049 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A Chain: A
Molecule details ›
Chain: A
Length: 338 amino acids
Theoretical weight: 39.09 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: O60658 (Residues: 482-819; Coverage: 41%)
Gene name: PDE8A
Sequence domains: 3'5'-cyclic nucleotide phosphodiesterase

Ligands and Environments

3 bound ligands:
Ligand ZN 1 x ZN
Ligand MG 1 x MG
Ligand GJU 1 x GJU
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: OXFORD DIFFRACTION NOVA
Spacegroup: C2221
Unit cell:
a: 75.797Å b: 131.832Å c: 101.335Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.277 0.275 0.317
Expression system: Escherichia coli BL21

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Citations

1 review citation

The Role of PDE8 in T Cell Recruitment and Function in Inflammation.
Epstein et al. (2021)
2 other articles