Structure of PDB 5xkm Chain B Binding Site BS01

Receptor Information

>5xkm Chain B (length=345) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

GHASDDEYTKLLHDGIQPVAAIDSNFASFTYTPRSLPEDDTSMAILSMLQ
DMNFINNYKIDCPTLARFCLMVKKGYRDPPYHNWMHAFSVSHFCYLLYKN
LELTNYLEDIEIFALFISCMCHDLDHRGTNNSFQVASKSVLAALYSSEGS
VMERHHFAQAIAILNTHGCNIFDHFSRKDYQRMLDLMRDIILATDLAHHL
RIFKDLQKMAEVGYDRNNKQHHRLLLCLLMTSCDLSDQTKGWKTTRKIAE
LIYKEFFSQGDLEKAMGNRPMEMMDREKAYIPELQISFMEHIAMPIYKLL
QDLFPKAAELYERVASNREHWTKVSHKFTIRGLPSNNSLDFLDEE

Ligand information

Ligand ID

InChI

InChI=1S/Zn/q+2

InChIKey

PTFCDOFLOPIGGS-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.341	[Zn++]
ACDLabs 10.04 OpenEye OEToolkits 1.5.0	[Zn+2]

Formula

Name

ZINC ION

PDB chain

5xkm Chain B Residue 2002 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	5xkm Discovery of an Orally Bioavailable, Brain-Penetrating, in Vivo Active Phosphodiesterase 2A Inhibitor Lead Series for the Treatment of Cognitive Disorders.
Resolution	2.16 Å
Binding residue (original residue number in PDB)	H660 H696 D697 D808
Binding residue (residue number reindexed from 1)	H86 H122 D123 D234
Annotation score	1

Enzymatic activity

Enzyme Commision number

3.1.4.17: 3',5'-cyclic-nucleotide phosphodiesterase.

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

View graph for
Biological Process

External links

PDB	RCSB:5xkm, PDBe:5xkm, PDBj:5xkm
PDBsum	5xkm
PubMed	28759228
UniProt	O00408\|PDE2A_HUMAN cGMP-dependent 3',5'-cyclic phosphodiesterase (Gene Name=PDE2A)

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