Brand  (β version)

PDB ID: 4DFF

Hetero Atom Contents

  The number of atoms exceeds 100,000.
  So, it can not be displayed here.

Select unit:

Select hetatm:   

close
information
centroid:
interaction residue:

Select chain:   Sequence  

Data format:   

Color scheme of protein:

Ligands
Code Name Style Show Link
MG Magnesium ion PoSSuM
ZN Zinc ion PoSSuM
Non-standard Residues
Code Name Show
Glycosylation
Code Name Emphasize
Modification
Code Name Show

Structure summary

Code : 4DFF   PDBj   RCSB PDB   PDBe
Header : HYDROLASE/HYDROLASE INHIBITOR
Title : The SAR development of dihydroimidazoisoquinoline derivatives as phosphodiesterase 10A inhibitors for the treatment of schizophrenia
Release Data : 2012-03-14
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 432-779)
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Spodoptera frugiperda  (taxid:7108)
gene: PDE10A
expression_system_common: Fall armyworm
Authors : Ho, G.D., Seganish, W.M., Bercovici, A., Tulshian, D., Greenlee, W.J., Van Rijn, R., Hruza, A., Xiao, L., Rindgen, D., Mullins, D., Guzzi, M., Zhang, X., Bleichardt, C., Hodgson, R.
Keywords : Zn binding, Mg binding, HYDROLASE-HYDROLASE INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 2.11 Å )
Citation :

The SAR development of dihydroimidazoisoquinoline derivatives as phosphodiesterase 10A inhibitors for the treatment of schizophrenia.

Ho, G.D.,Michael Seganish, W.,Bercovici, A.  et al.
(2012)  Bioorg.Med.Chem.Lett.  22 : 2585 - 2589

PubMed: 22377514
DOI: 10.1016/j.bmcl.2012.01.113

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
-
3',5'-cyclic AMP + H2O = AMP + H(+) - PubMed:10373451, PubMed:10393245, PubMed:16330539, PubMed:17389385, PubMed:27058447
-
3',5'-cyclic GMP + H2O = GMP + H(+) - PubMed:10373451, PubMed:10393245, PubMed:17389385, PubMed:27058447
-
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.