Structure of PDB 3g45 Chain A Binding Site BS01

Receptor Information

>3g45 Chain A (length=371) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

SNKFKRMLNRELTHLSEMSRSGNQVSEYISNTFLDTSISRFGVNTENEDH
LAKELEDLNKWGLNIFNVAGYSHNRPLTCIMYAIFQERDLLKTFRISSDT
FITYMMTLEDHYHSDVAYHNSLHAADVAQSTHVLLSTPALDAVFTDLEIL
AAIFAAAIHDVDHPGVSNQFLINTNSELALMYNDESVLENHHLAVGFKLL
QEEHCDIFMNLTKKQRQTLRKMVIDMVLATDMSKHMSLLADLKTMVETKK
VTSSGVLLLDNYTDRIQVLRNMVHCADLSNPTKSLELYRQWTDRIMEEFF
QQGDKERERGMEISPMCDKHTASVEKSQVGFIDYIVHPLWETWADLVQPD
AQDILDTLEDNRNWYQSMIPQ

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

3g45 Chain A Residue 801 [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	3g45 Design of phosphodiesterase 4D (PDE4D) allosteric modulators for enhancing cognition with improved safety.
Resolution	2.63 Å
Binding residue (original residue number in PDB)	H410 H446 D447 D564
Binding residue (residue number reindexed from 1)	H123 H159 D160 D277
Annotation score	1

Enzymatic activity

Enzyme Commision number

3.1.4.53: 3',5'-cyclic-AMP 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:3g45, PDBe:3g45, PDBj:3g45
PDBsum	3g45
PubMed	20037581
UniProt	Q07343\|PDE4B_HUMAN 3',5'-cyclic-AMP phosphodiesterase 4B (Gene Name=PDE4B)

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