› 4c1i

X-ray diffraction
2.4Å resolution

Selective Inhibitors of PDE2, PDE9, and PDE10: Modulators of Activity of the Central Nervous System

Released:
DOI: 10.2210/pdb4c1i/pdb
PDB entry 4c1i coloured by chain, front view.
PDB entry 4c1i coloured by chain, side view.
PDB entry 4c1i coloured by chain, top view.
Source organism: Homo sapiens
Entry authors: Jorgensen M, Kehler J, Langgard M, Svenstrup N, Tagmose L

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-126260 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
cGMP-dependent 3',5'-cyclic phosphodiesterase Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 353 amino acids
Theoretical weight: 41.43 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: O00408 (Residues: 578-921; Coverage: 37%)
Gene name: PDE2A
Sequence domains: 3'5'-cyclic nucleotide phosphodiesterase
Structure domains: 3'5'-cyclic nucleotide phosphodiesterase, catalytic domain

Ligands and Environments

3 bound ligands:
Ligand EH9 4 x EH9
Ligand ZN 4 x ZN
Ligand MG 4 x MG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-007 HF
Spacegroup: P1
Unit cell:
a: 47.05Å b: 81.81Å c: 93.34Å
α: 110.16° β: 95.66° γ: 93.21°
R-values:
R R work R free
0.228 0.225 0.287
Expression system: Spodoptera frugiperda

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