Brand  (β version)

PDB ID: 6A3N

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Ligands
Code Name Style Show Link
ZN Zinc ion PoSSuM
MG Magnesium ion PoSSuM
9Q9 1-cyclopentyl-6-({(2r)-1-[(3s)-3-fluoropyrrolidin-1-yl]-1-oxopropan-2-yl}amino)-1,5-dihydro-4h-pyrazolo[3,4-D]pyrimidin-4-one PoSSuM
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Structure summary

Code : 6A3N   PDBj   RCSB PDB   PDBe
Header : HYDROLASE
Title : Crystal structure of the PDE9 catalytic domain in complex with inhibitor 2
Release Data : 2019-04-10
Compound :
mol_id molecule chains
1 High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A A,B
ec: 3.1.4.35
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Escherichia coli BL21  (taxid:511693)
gene: PDE9A
Authors : Wu, Y.N., Zhou, Q., Chen, Y.P., Luo, H.B.
Keywords : PDE9 inhibitor complex, HYDROLASE
Exp. method : X-RAY DIFFRACTION ( 2.60 Å )
Citation :

Discovery of Potent, Selective, and Orally Bioavailable Inhibitors against Phosphodiesterase-9, a Novel Target for the Treatment of Vascular Dementia.

Wu, Y.,Zhou, Q.,Zhang, T.  et al.
(2019)  J. Med. Chem.  62 : 4218 - 4224

PubMed: 30916555
DOI: 10.1021/acs.jmedchem.8b01041

Reaction

Chain : A, B
UniProt : O76083 (PDE9A_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
3',5'-cyclic GMP + H2O = GMP + H(+) 3.1.4.35 PubMed:18757755, PubMed:21483814, PubMed:9624146
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