Structure of PDB 5vp0 Chain B

Receptor sequence
>5vp0B (length=339) Species: 9606 (Homo sapiens) [Search protein sequence]
SDDEYTKLLHDGIQPVAAIDSNFASFTYTPRSLPEDDTSMAILSMLQDMN
FINNYKIDCPTLARFCLMVKKGYRDPPYHNWMHAFSVSHFCYLLYKNLEL
TNYLEDIEIFALFISCMCHDLDHRGTNNSFQVASKSVLAALYSSEGSVME
RHHFAQAIAILNTHGCNIFDHFSRKDYQRMLDLMRDIILATDLAHHLRIF
KDLQKMAEVGYDRNNKQHHRLLLCLLMTSCDLSDQTKGWKTTRKIAELIY
KEFFSQGDLEKAMGNRPMEMMDREKAYIPELQISFMEHIAMPIYKLLQDL
FPKAAELYERVASNREHWTKVSHKFTIRGLPSNNSLDFL
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.
ChainB
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 B H660 H696 D697 D808 H83 H119 D120 D231
BS02 9GJ B T768 L770 H773 T805 L809 Q812 F830 Q859 F862 I866 T191 L193 H196 T228 L232 Q235 F253 Q282 F285 I289 MOAD: 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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