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Investigation of Aminopyridiopyrazinones as PDE5 Inhibitors: Evaluation of Modifications to the Central Ring System.

X-ray diffraction
1.79Å resolution
PDB entry 3hc8 coloured by chain, front view.
PDB entry 3hc8 coloured by chain, side view.
PDB entry 3hc8 coloured by chain, top view.
Source organism: Homo sapiens
Assembly composition:
monomeric (preferred)
Entry contents: 1 distinct polypeptide molecule

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Assemblies

Assembly 1 (preferred)
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Assembly Name: 3',5'-cyclic-AMP phosphodiesterase 4A, cGMP-specific 3',5'-cyclic phosphodiesterase
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Multimeric state: monomeric
Accessible surface area: 14842.93 Å2
Buried surface area: 328.6 Å2
Dissociation area: 45.56 Å2
Dissociation energy (ΔGdiss): 7.32 kcal/mol
Dissociation entropy (TΔSdiss): -1.46 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-131204

Macromolecules

3',5'-cyclic-AMP phosphodiesterase 4A; cGMP-specific 3',5'-cyclic phosphodiesterase
Chain: A
Length: 324 amino acids
Theoretical weight: 37.35 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: O76074 (Residues: 536-657, 683-858; Coverage: 34%)
  • Canonical: P27815 (Residues: 478-503; Coverage: 3%)
    • nullnull
Gene names: DPDE2, PDE4A, PDE5, PDE5A
Pfam: 3'5'-cyclic nucleotide phosphodiesterase
InterPro:
CATH: 3'5'-cyclic nucleotide phosphodiesterase, catalytic domain
3',5'-cyclic-AMP phosphodiesterase 4A in PDB entry 3hc8, assembly 1, front view.
3',5'-cyclic-AMP phosphodiesterase 4A in PDB entry 3hc8, assembly 1, side view.
3',5'-cyclic-AMP phosphodiesterase 4A in PDB entry 3hc8, assembly 1, top view.
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