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Discovery of Lu AF11167, a Phosphodiesterase 10A inhibitor clinical candidate

X-ray diffraction
2.3Å resolution
PDB entry 7qpv coloured by chain, front view.
PDB entry 7qpv coloured by chain, side view.
PDB entry 7qpv 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: 13899.71 Å2
Buried surface area: 240.37 Å2
Dissociation area: 75.09 Å2
Dissociation energy (ΔGdiss): 17.44 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: 13861.16 Å2
Buried surface area: 241.07 Å2
Dissociation area: 74.24 Å2
Dissociation energy (ΔGdiss): 16.88 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
Length: 340 amino acids
Theoretical weight: 39.63 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: Q9Y233 (Residues: 708-1040; Coverage: 32%)
Gene name: PDE10A
InterPro:
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A in PDB entry 7qpv, assembly 1, front view.
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A in PDB entry 7qpv, assembly 1, side view.
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A in PDB entry 7qpv, assembly 1, top view.
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