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CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH n2c(c1nc(nn1c(c2)C)\\C=C\\c3nc(nn3C)c4c[nH]nc4)C, micromolar IC50=0.22176

X-ray diffraction
2.08Å resolution
PDB entry 5sfy coloured by chain, front view.
PDB entry 5sfy coloured by chain, side view.
PDB entry 5sfy 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: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
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Multimeric state: monomeric
Accessible surface area: 14184.21 Å2
Buried surface area: 370.45 Å2
Dissociation area: 79.63 Å2
Dissociation energy (ΔGdiss): 22.45 kcal/mol
Dissociation entropy (TΔSdiss): -1.46 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-195088
Assembly 2
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Assembly Name: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
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Multimeric state: monomeric
Accessible surface area: 14375.17 Å2
Buried surface area: 372.15 Å2
Dissociation area: 78.69 Å2
Dissociation energy (ΔGdiss): 21.98 kcal/mol
Dissociation entropy (TΔSdiss): -1.46 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-195088
Assembly 3
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Assembly Name: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
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Multimeric state: monomeric
Accessible surface area: 14216.09 Å2
Buried surface area: 370.38 Å2
Dissociation area: 79.7 Å2
Dissociation energy (ΔGdiss): 22.95 kcal/mol
Dissociation entropy (TΔSdiss): -1.46 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-195088
Assembly 4
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Assembly Name: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
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Multimeric state: monomeric
Accessible surface area: 14117.65 Å2
Buried surface area: 367.38 Å2
Dissociation area: 78.31 Å2
Dissociation energy (ΔGdiss): 22.03 kcal/mol
Dissociation entropy (TΔSdiss): -1.46 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-195088

Macromolecules

cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
Chains: A, B, C, D
Length: 343 amino acids
Theoretical weight: 39.41 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q9Y233 (Residues: 715-1055; Coverage: 32%)
Gene name: PDE10A
InterPro:
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A in PDB entry 5sfy, assembly 1, front view.
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A in PDB entry 5sfy, assembly 1, side view.
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A in PDB entry 5sfy, assembly 1, top view.
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