Structure of PDB 5vp0 Chain A

Receptor sequence
>5vp0A (length=334) Species: 9606 (Homo sapiens) [Search protein sequence]
TKLLHDGIQPVAAIDSNFASFTYTPRSLPEDDTSMAILSMLQDMNFINNY
KIDCPTLARFCLMVKKGYRDPPYHNWMHAFSVSHFCYLLYKNLELTNYLE
DIEIFALFISCMCHDLDHRGTNNSFQVASKSVLAALYSSEGSVMERHHFA
QAIAILNTHGCNIFDHFSRKDYQRMLDLMRDIILATDLAHHLRIFKDLQK
MAEVGYDRNNKQHHRLLLCLLMTSCDLSDQTKGWKTTRKIAELIYKEFFS
QGDLEKAMGNRPMEMMDREKAYIPELQISFMEHIAMPIYKLLQDLFPKAA
ELYERVASNREHWTKVSHKFTIRGLPSNNSLDFL
3D structure
PDB5vp0 Discovery of Clinical Candidate N-((1S)-1-(3-Fluoro-4-(trifluoromethoxy)phenyl)-2-methoxyethyl)-7-methoxy-2-oxo-2,3-dihydropyrido[2,3-b]pyrazine-4(1H)-carboxamide (TAK-915): A Highly Potent, Selective, and Brain-Penetrating Phosphodiesterase 2A Inhibitor for the Treatment of Cognitive Disorders.
ChainA
Resolution2.2 Å
3D
structure
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Enzymatic activity
Enzyme Commision number 3.1.4.17: 3',5'-cyclic-nucleotide phosphodiesterase.
Interaction with ligand
Site
#
Ligand Ligand
chain
Binding residues on receptor
(original residue number in PDB)
Binding residues on receptor
(residue number reindexed from 1)
Binding affinity
BS01 ZN A H660 H696 D697 D808 H78 H114 D115 D226
BS02 9GJ A L770 H773 T805 L809 Q812 I826 M847 Q859 F862 L188 H191 T223 L227 Q230 I244 M265 Q277 F280 MOAD: ic50=0.61nM
PDBbind-CN: -logKd/Ki=9.21,IC50=0.61nM
BindingDB: IC50=0.610000nM
Gene Ontology
Molecular Function
GO:0004114 3',5'-cyclic-nucleotide phosphodiesterase activity
GO:0008081 phosphoric diester hydrolase activity
Biological Process
GO:0007165 signal transduction

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Molecular Function

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Biological Process
External links
PDB RCSB:5vp0, PDBe:5vp0, PDBj:5vp0
PDBsum5vp0
PubMed28796496
UniProtO00408|PDE2A_HUMAN cGMP-dependent 3',5'-cyclic phosphodiesterase (Gene Name=PDE2A)

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