Structure of PDB 2qty Chain A Binding Site BS01

Receptor Information
>2qty Chain A (length=337) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MASISRFRGCLAGALLGDCVGAVYEAHDTVSLASVLSHVESLEPETLYYT
DDTAMTRALVQSLLAKEAFDEVDMAHRFAQEYKKDPDRGYGAGVITVFKK
LLNPKCRDVYEPARAQFNGKGSYGNGGAMRVAGISLAYSSVQDVQKFARL
SAQLTHASSLGYNGAILQALAVHLALQGVSSSEHFLEQLLGHMEELEGDA
QSVLDAKELGMEERPYSSRLKKVGELLDQDVVSREEVVSELGNGIAAFES
VPTAIYCFLRCMEPHPEIPSTFNSLQRTLIYSISLGGDTDTIATMAGAIA
GAYYGMEQVPESWQQSCEGFEETDVLAQSLHRVFQES
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 chain2qty Chain A Residue 348 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2qty Structure of mouse ADP-ribosylhydrolase 3 (mARH3).
Resolution1.8 Å
Binding residue
(original residue number in PDB)		T60 D61 D62 D300
Binding residue
(residue number reindexed from 1)		T50 D51 D52 D290
Annotation score1
Enzymatic activity
Enzyme Commision number 3.2.1.143: poly(ADP-ribose) glycohydrolase.
3.2.2.-
3.5.1.-
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0004649 poly(ADP-ribose) glycohydrolase activity
GO:0016787 hydrolase activity
GO:0016799 hydrolase activity, hydrolyzing N-glycosyl compounds
GO:0046872 metal ion binding
GO:0061463 O-acetyl-ADP-ribose deacetylase activity
GO:0140292 ADP-ribosylserine hydrolase activity
Biological Process
GO:0006281 DNA repair
GO:0060546 negative regulation of necroptotic process
GO:0071451 cellular response to superoxide
GO:0140290 peptidyl-serine ADP-deribosylation
Cellular Component
GO:0005634 nucleus
GO:0005654 nucleoplasm
GO:0005694 chromosome
GO:0005737 cytoplasm
GO:0005739 mitochondrion
GO:0005759 mitochondrial matrix
GO:0016604 nuclear body
GO:0090734 site of DNA damage

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2qty, PDBe:2qty, PDBj:2qty
PDBsum2qty
PubMed18323597
UniProtQ8CG72|ADPRS_MOUSE ADP-ribosylhydrolase ARH3 (Gene Name=Adprs)

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