Brand  (β version)

PDB ID: 4FCB

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ZN Zinc ion PoSSuM
MG Magnesium ion PoSSuM
0T7 3,4-dimethyl-1-propyl-7-(quinolin-2-ylmethoxy)imidazo[1,5-a]quinoxaline PoSSuM

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Structure summary

Code : 4FCB   PDBj   RCSB PDB   PDBe
Header : Hydrolase/Hydrolase inhibitor
Title : Potent and Selective Phosphodiesterase 10A Inhibitors
Release Data : 2012-09-05
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: Catalytic Domain (unp residues 439-779)
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Escherichia coli  (taxid:562)
gene: PDE10A
Authors : Parris, K.D.
Keywords : Binding Sites, Cyclic AMP, Cyclic GMP, Ligands, Phosphodiesterase Inhibitors, Hydrolase-Hydrolase inhibitor complex
Exp. method : X-RAY DIFFRACTION ( 2.1 Å )
Citation :

Novel triazines as potent and selective phosphodiesterase 10A inhibitors.

Malamas, M.S.,Stange, H.,Schindler, R.  et al.
(2012)  Bioorg.Med.Chem.Lett.  22 : 5876 - 5884

PubMed: 22902656
DOI: 10.1016/j.bmcl.2012.07.076

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.