Structure of PDB 6b98 Chain B Binding Site BS01

Receptor Information

>6b98 Chain B (length=349) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

LSTSLYKKAGFDEYTKLLHDGIQPVAAIDSNFASFTYTPRSLPEDDTSMA
ILSMLQDMNFINNYKIDCPTLARFCLMVKKGYRDPPYHNWMHAFSVSHFC
YLLYKNLELTNYLEDIEIFALFISCMCHDLDHRGTNNSFQVASKSVLAAL
YSSEGSVMERHHFAQAIAILNTHGCNIFDHFSRKDYQRMLDLMRDIILAT
DLAHHLRIFKDLQKMAEVGYDRNNKQHHRLLLCLLMTSCDLSDQTKGWKT
TRKIAELIYKEFFSQGDLEKAMGNRPMEMMDREKAYIPELQISFMEHIAM
PIYKLLQDLFPKAAELYERVASNREHWTKVSHKFTIRGLPSNNSLDFLD

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

6b98 Chain B Residue 1001 [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	6b98 The identification of a novel lead class for phosphodiesterase 2 inhibition by fragment-based drug design.
Resolution	1.97 Å
Binding residue (original residue number in PDB)	H660 H696 D697 D808
Binding residue (residue number reindexed from 1)	H92 H128 D129 D240
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

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Biological Process

External links

PDB	RCSB:6b98, PDBe:6b98, PDBj:6b98
PDBsum	6b98
PubMed	29113762
UniProt	O00408\|PDE2A_HUMAN cGMP-dependent 3',5'-cyclic phosphodiesterase (Gene Name=PDE2A)

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