› 3v9b

X-ray diffraction
2.1Å resolution

Crystal structure of the catalytic domain of PDE4D2 with (S)-N-(3-{1-[1-(3-Cyclopropylmethoxy-4-difluoromethoxyphenyl)-2-(1-oxypyridin-4-yl)-ethyl]-1H-pyrazl-3-yl}phenyl)acetamide

Released:
DOI: 10.2210/pdb3v9b/pdb
PDB entry 3v9b coloured by chain, front view.
PDB entry 3v9b coloured by chain, side view.
PDB entry 3v9b coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Stereoselective synthesis of novel pyrazole derivatives using tert-butansulfonamide as a chiral auxiliary.
Park CM, Jeon DJ
Org Biomol Chem 10 2613-20 (2012)
PMID: 22371117

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-170654 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
3',5'-cyclic-AMP phosphodiesterase 4D Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 360 amino acids
Theoretical weight: 41.39 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q08499 (Residues: 381-740; Coverage: 45%)
Gene names: DPDE3, PDE4D
Sequence domains: 3'5'-cyclic nucleotide phosphodiesterase
Structure domains: 3'5'-cyclic nucleotide phosphodiesterase, catalytic domain

Ligands and Environments

2 bound ligands:
Ligand IHM 4 x IHM
Ligand ZN 8 x ZN
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: PAL/PLS BEAMLINE 6B
Spacegroup: P212121
Unit cell:
a: 98.587Å b: 110.293Å c: 161.607Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.208 0.206 0.236
Expression system: Escherichia coli

Quick links

Citations

1 review citation

Applications of tert-butanesulfinamide in the synthesis of N-heterocycles via sulfinimines.
Philip et al. (2020)
6 other articles