Brand  (β version)

PDB ID: 4DDL

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Ligands
Code Name Style Show Link
ZN Zinc ion PoSSuM
SO4 Sulfate ion PoSSuM
0JQ 2-{1-[5-(6,7-dimethoxycinnolin-4-yl)-3-methylpyridin-2-yl]piperidin-4-yl}propan-2-ol PoSSuM
Non-standard Residues
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Structure summary

Code : 4DDL   PDBj   RCSB PDB   PDBe
Header : Hydrolase/Hydrolase Inhibitor
Title : PDE10a Crystal Structure Complexed with Novel Inhibitor
Release Data : 2012-03-21
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: human PDE10a, residues 442-779
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Escherichia coli  (taxid:562)
gene: PDE10A
Authors : Chmait, S., Jordan, S., Zhang, J.
Keywords : Phosphodiesterase 10a, Hydrolase, Hydrolase-Hydrolase Inhibitor complex
Exp. method : X-RAY DIFFRACTION ( 2.07 Å )
Citation :

Discovery of potent, selective, and metabolically stable 4-(pyridin-3-yl)cinnolines as novel phosphodiesterase 10A (PDE10A) inhibitors.

Hu, E.,Kunz, R.K.,Rumfelt, S.  et al.
(2012)  Bioorg.Med.Chem.Lett.  22 : 2262 - 2265

PubMed: 22365755
DOI: 10.1016/j.bmcl.2012.01.086

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.