Structure of PDB 5u7i Chain A

Receptor sequence
>5u7iA (length=338) Species: 9606 (Homo sapiens) [Search protein sequence]
DDEYTKLLHDGIQPVAAIDSNFASFTYTPRSLPEDDTSMAILSMLQDMNF
INNYKIDCPTLARFCLMVKKGYRDPPYHNWMHAFSVSHFCYLLYKNLELT
NYLEDIEIFALFISCMCHDLDHRGTNNSFQVASKSVLAALYSSEGSVMER
HHFAQAIAILNTHGCNIFDHFSRKDYQRMLDLMRDIILATDLAHHLRIFK
DLQKMAEVGYDRNNKQHHRLLLCLLMTSCDLSDQTKGWKTTRKIAELIYK
EFFSQGDLEKAMGNRPMEMMDREKAYIPELQISFMEHIAMPIYKLLQDLF
PKAAELYERVASNREHWTKVSHKFTIRGLPSNNSLDFL
3D structure
PDB5u7i Application of Structure-Based Design and Parallel Chemistry to Identify a Potent, Selective, and Brain Penetrant Phosphodiesterase 2A Inhibitor.
ChainA
Resolution2.0 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 7XS A Y655 H656 Q812 I826 Q859 F862 I866 Y77 H78 Q234 I248 Q281 F284 I288 MOAD: ic50=66.6nM
PDBbind-CN: -logKd/Ki=7.18,IC50=66.6nM
BindingDB: IC50=67nM
BS02 ZN A H660 H696 D697 D808 H82 H118 D119 D230
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:5u7i, PDBe:5u7i, PDBj:5u7i
PDBsum5u7i
PubMed28574706
UniProtO00408|PDE2A_HUMAN cGMP-dependent 3',5'-cyclic phosphodiesterase (Gene Name=PDE2A)

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