Structure of PDB 3ibj Chain A Binding Site BS02

Receptor Information
>3ibj Chain A (length=661) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YTDRDRKILQLCGELYDLDASSLQLKVLQYLQQETRASRCCLLLVSEDNL
QLSCKVIGDKVLGEEVSFPLTGCLGQVVEDKKSIQLKDLTSEDVQQLQSM
LGCELQAMLCVPVISRATDQVVALACAFNKLEGDLFTDEDEHVIQHCFHY
TSTVLTSTLAFQKEQKLKCECQALLQVAKNLFTHLDDVSVLLQEIITEAR
NLSNAEICSVFLLDQNELVAKVFDGGVVDDESYEIRIPADQGIAGHVATT
GQILNIPDAYAHPLFSTGFRTRNILCFPIKNENQEVIGVAELVNKINGPW
FSKFDEDLATAFSIYCGISIAHSLLYKKVNEAQYRSHLANEMMMYHMKVS
DDEYTKLLHDGIQPVAAIDSNFASFTYTPRSLPEDDTSMAILSMLQDMNF
INNYKIDCPTLARFCLMVKKGYRDPPYHNWMHAFSVSHFCYLLYKNLELT
NYLEDIEIFALFISCMCHDLDHRGTNNSFQVASKSVLAALYSSEGSVMER
HHFAQAIAILNTHGCNIFDHFSRKDYQRMLDLMRDIILATDLAHHLRIFK
DLQKMAEVGYDRNNKQHHRLLLCLLMTSCDLSDQTKGWKTTRKIAELIYK
EFFSQGDLEKAEKAYIPELQISFMEHIAMPIYKLLQDLFPKAAELYERVA
SNREHWTKVSH
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain3ibj Chain A Residue 905 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB3ibj Mechanism for the allosteric regulation of phosphodiesterase 2A deduced from the X-ray structure of a near full-length construct.
Resolution3.02 Å
Binding residue
(original residue number in PDB)		D697 T768
Binding residue
(residue number reindexed from 1)		D469 T540
Annotation score1
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:3ibj, PDBe:3ibj, PDBj:3ibj
PDBsum3ibj
PubMed19828435
UniProtO00408|PDE2A_HUMAN cGMP-dependent 3',5'-cyclic phosphodiesterase (Gene Name=PDE2A)

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