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Human pde9 in complex with selective compound

X-ray diffraction
2.4Å resolution
PDB entry 4g2j coloured by chain, front view.
PDB entry 4g2j coloured by chain, side view.
PDB entry 4g2j coloured by chain, top view.
Source organism: Homo sapiens
Assemblies composition:
monomeric (preferred)
homo dimer
Entry contents: 1 distinct polypeptide molecule

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Assemblies

Assembly 1 (preferred)
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Assembly Name: High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A
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Multimeric state: monomeric
Accessible surface area: 15343.75 Å2
Buried surface area: 239.65 Å2
Dissociation area: 73.66 Å2
Dissociation energy (ΔGdiss): 17.36 kcal/mol
Dissociation entropy (TΔSdiss): -1.46 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-131211
Assembly 2
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Assembly Name: High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A
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Multimeric state: monomeric
Accessible surface area: 15253.8 Å2
Buried surface area: 239.04 Å2
Dissociation area: 73.42 Å2
Dissociation energy (ΔGdiss): 16.32 kcal/mol
Dissociation entropy (TΔSdiss): -1.46 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-131211
Assembly 3
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Assembly Name: High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A
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Multimeric state: homo dimer
Accessible surface area: 28233.31 Å2
Buried surface area: 2845.35 Å2
Dissociation area: 1,182.4 Å2
Dissociation energy (ΔGdiss): 6.54 kcal/mol
Dissociation entropy (TΔSdiss): 13.75 kcal/mol
Symmetry number: 2
PDBe Complex ID: PDB-CPX-131212

Macromolecules

High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A
Chains: A, B
Length: 329 amino acids
Theoretical weight: 38.86 KDa
Source organism: Homo sapiens
Expression system: Not provided
UniProt:
  • Canonical: O76083 (Residues: 242-566; Coverage: 55%)
Gene name: PDE9A
Pfam: 3'5'-cyclic nucleotide phosphodiesterase
InterPro:
CATH: 3'5'-cyclic nucleotide phosphodiesterase, catalytic domain
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A in PDB entry 4g2j, assembly 1, front view.
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A in PDB entry 4g2j, assembly 1, side view.
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A in PDB entry 4g2j, assembly 1, top view.
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