Brand  (β version)

PDB ID: 6MSA

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Ligands
Code Name Style Show Link
ZN Zinc ion PoSSuM
MG Magnesium ion PoSSuM
JY4 7,8-dimethoxy-1-methyl-2h-pyrazolo[3,4-C]cinnoline PoSSuM
Non-standard Residues
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Structure summary

Code : 6MSA   PDBj   RCSB PDB   PDBe
Header : HYDROLASE
Title : Novel, potent, selective and brain penetrant phosphodiesterase 10A inhibitors
Release Data : 2019-01-09
Compound :
mol_id molecule chains
1 cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A A,B
ec: 3.1.4.17,3.1.4.35
fragment: residues 439-766
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Escherichia coli  (taxid:562)
gene: PDE10A
Authors : Jakob, C.G.
Keywords : Phosphodiesterase, HYDROLASE
Exp. method : X-RAY DIFFRACTION ( 2.06 Å )
Citation :

Novel, potent, selective, and brain penetrant phosphodiesterase 10A inhibitors.

Geneste, H.,Drescher, K.,Jakob, C.  et al.
(2019)  Bioorg. Med. Chem. Lett.  29 : 406 - 412

PubMed: 30587449
DOI: 10.1016/j.bmcl.2018.12.029

Reaction

Chain : A, B
UniProt : Q9Y233 (PDE10_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
a nucleoside 3',5'-cyclic phosphate + H2O = a nucleoside 5'- phosphate + H(+) 3.1.4.17 PubMed:10373451, PubMed:10393245, PubMed:17389385, PubMed:27058447
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3',5'-cyclic AMP + H2O = AMP + H(+) - PubMed:10373451, PubMed:10393245, PubMed:16330539, PubMed:17389385, PubMed:27058447
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3',5'-cyclic GMP + H2O = GMP + H(+) - PubMed:10373451, PubMed:10393245, PubMed:17389385, PubMed:27058447
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Cofactor: Evidence: Note:
a divalent metal cation ECO:0000269 | PubMed:17389385
Binds 2 divalent metal cations per subunit. Site 1 may preferentially bind zinc ions, while site 2 has a preference for magnesium and/or manganese ions.