Structure of PDB 7akr Chain CCC Binding Site BS01

Receptor Information
>7akr Chain CCC (length=344) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SSLSRFRGCLAGALLGDCVGSFYAAHDTVDLTSVLRHVQSLEPDPGTPGS
ERTEALYYTDDTAMARALVQSLLAKEAFDEVDMAHRFAQEYKKDPDRGYG
AGVVTVFKKLLNPKCRDVFEPARAQFNGKGSYGNGGAMRVAGISLAYSSV
QDVQKFARLSAQLTHASSLGYNGAILQALAVHLALQGESSSEHFLKQLLG
HMEDLEGDAQSVLDARELGMEERPYSSRLKKIGELLDQASVTREEVVSEL
GNGIAAFESVPTAIYCFLRCMEPDPEIPSAFNSLQRTLIYSISLGGDTDT
IATMAGAIAGAYYGMDQVPESWQQSCEGYEETDILAQSLHRVFQ
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 chain7akr Chain CCC Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7akr Mechanistic insights into the three steps of poly(ADP-ribosylation) reversal.
Resolution1.95 Å
Binding residue
(original residue number in PDB)		T76 D77 D78 D316
Binding residue
(residue number reindexed from 1)		T59 D60 D61 D299
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:0005515 protein binding
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:0006287 base-excision repair, gap-filling
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:7akr, PDBe:7akr, PDBj:7akr
PDBsum7akr
PubMed34321462
UniProtQ9NX46|ADPRS_HUMAN ADP-ribosylhydrolase ARH3 (Gene Name=ADPRS)

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