Brand  (β version)

PDB ID: 6CYC

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Ligands
Code Name Style Show Link
EDO 1,2-ethanediol PoSSuM
FKJ 3-(hydroxymethyl)-1-{(1s)-1-[4-(trifluoromethyl)phenyl]ethyl}-1h-pyrazolo[3,4-D]pyrimidine-4,6(5h,7h)-dione PoSSuM
MG Magnesium ion PoSSuM
ZN Zinc ion PoSSuM
Non-standard Residues
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Structure summary

Code : 6CYC   PDBj   RCSB PDB   PDBe
Header : HYDROLASE/HYDROLASE INHIBITOR
Title : PDE2 in complex with compound 5
Release Data : 2018-09-19
Compound :
mol_id molecule chains synonym
1 cGMP-dependent 3',5'-cyclic phosphodiesterase A,B Cyclic GMP-stimulated phosphodiesterase,cGSPDE
ec: 3.1.4.17
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Spodoptera frugiperda  (taxid:7108)
gene: PDE2A
Authors : Lu, J.
Keywords : PDE2, inhibition, structure-guided design, HYDROLASE-HYDROLASE INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 1.54 Å )
Citation :

Structure-Guided Design and Procognitive Assessment of a Potent and Selective Phosphodiesterase 2A Inhibitor.

Stachel, S.J.,Berger, R.,Nomland, A.B.  et al.
(2018)  ACS Med Chem Lett  9 : 815 - 820

PubMed: 30128073
DOI: 10.1021/acsmedchemlett.8b00214

Reaction

Chain : A, B
UniProt : O00408 (PDE2A_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
a nucleoside 3',5'-cyclic phosphate + H2O = a nucleoside 5'- phosphate + H(+) 3.1.4.17 PubMed:15938621, PubMed:29392776, PubMed:9210593
left-to-right PubMed:9210593
3',5'-cyclic GMP + H2O = GMP + H(+) - PubMed:15938621, PubMed:29392776, PubMed:9210593
left-to-right PubMed:9210593
3',5'-cyclic AMP + H2O = AMP + H(+) - PubMed:15938621, PubMed:29392776, PubMed:9210593
left-to-right PubMed:9210593
Cofactor: Evidence: Note:
Zn(2+) ECO:0000269 | PubMed:15938621
ECO:0000269 | PubMed:19828435
ECO:0000269 | PubMed:23899287
Binds 2 divalent metal cations per subunit. Site 1 may preferentially bind zinc ions.
Mg(2+) ECO:0000269 | PubMed:15938621
ECO:0000269 | PubMed:19828435
ECO:0000269 | PubMed:23899287
Binds 2 divalent metal cations per subunit. Site 2 has a preference for magnesium ions.