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CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c12nc(cn1ccc(n2)NC(c3c(cnn3C)C(NCCO)=O)=O)c4ccccc4, micromolar IC50=0.054287

X-ray diffraction
2.01Å resolution
PDB entry 5si9 coloured by chain, front view.
PDB entry 5si9 coloured by chain, side view.
PDB entry 5si9 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: 14526.27 Å2
Buried surface area: 238.2 Å2
Dissociation area: 73.76 Å2
Dissociation energy (ΔGdiss): 17.07 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: 14647.65 Å2
Buried surface area: 237.73 Å2
Dissociation area: 73.7 Å2
Dissociation energy (ΔGdiss): 17.31 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: 14623.93 Å2
Buried surface area: 239.58 Å2
Dissociation area: 74.06 Å2
Dissociation energy (ΔGdiss): 17.06 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: 14498.73 Å2
Buried surface area: 239.99 Å2
Dissociation area: 74.09 Å2
Dissociation energy (ΔGdiss): 16.97 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 5si9, assembly 1, front view.
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A in PDB entry 5si9, assembly 1, side view.
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A in PDB entry 5si9, assembly 1, top view.
PDBe-KB: UniProt Coverage View: Q9Y233  
134350100150200250300
 
100200300
UniProt
Q9Y233
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Secondary structure
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