Structure of PDB 8g9c Chain A Binding Site BS03

Receptor Information
>8g9c Chain A (length=134) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TRTYDGDGYKKRAACLCFRSESEEEVLLVSSSRHPDRWIVPGGGMEPEEE
PSVAAVREVCEEAGVKGTLGRLVGIFENQERKHRTYVYVLIVTEVLEDWE
DSVNIGRKREWFKIEDAIKVLQYHKPVQASYFET
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 chain8g9c Chain A Residue 403 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8g9c Fluorination Influences the Bioisostery of Myo-Inositol Pyrophosphate Analogs.
Resolution1.4 Å
Binding residue
(original residue number in PDB)		E66 E70
Binding residue
(residue number reindexed from 1)		E58 E62
Annotation score1
Enzymatic activity
Enzyme Commision number 3.6.1.10: endopolyphosphatase.
3.6.1.52: diphosphoinositol-polyphosphate diphosphatase.
3.6.1.59: 5'-(N(7)-methyl 5'-triphosphoguanosine)-[mRNA] diphosphatase.
3.6.1.61: diadenosine hexaphosphate hydrolase (ATP-forming).
3.6.1.62: 5'-(N(7)-methylguanosine 5'-triphospho)-[mRNA] hydrolase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0000298 endopolyphosphatase activity
GO:0005515 protein binding
GO:0008270 zinc ion binding
GO:0008486 diphosphoinositol-polyphosphate diphosphatase activity
GO:0016462 pyrophosphatase activity
GO:0016787 hydrolase activity
GO:0030145 manganese ion binding
GO:0034431 bis(5'-adenosyl)-hexaphosphatase activity
GO:0034432 bis(5'-adenosyl)-pentaphosphatase activity
GO:0046872 metal ion binding
GO:0052840 inositol diphosphate tetrakisphosphate diphosphatase activity
GO:0052842 inositol diphosphate pentakisphosphate diphosphatase activity
GO:0052845 inositol-5-diphosphate-1,2,3,4,6-pentakisphosphate diphosphatase activity
GO:0052848 inositol-3,5-bisdiphosphate-2,3,4,6-tetrakisphosphate 5-diphosphatase activity
GO:0140932 5'-(N(7)-methyl 5'-triphosphoguanosine)-[mRNA] diphosphatase activity
GO:0140933 5'-(N(7)-methylguanosine 5'-triphospho)-[mRNA] hydrolase activity
Biological Process
GO:0007267 cell-cell signaling
GO:0015961 diadenosine polyphosphate catabolic process
GO:0071543 diphosphoinositol polyphosphate metabolic process
GO:0071544 diphosphoinositol polyphosphate catabolic process
GO:0110154 RNA decapping
GO:1901907 diadenosine pentaphosphate catabolic process
GO:1901909 diadenosine hexaphosphate catabolic process
GO:1901911 adenosine 5'-(hexahydrogen pentaphosphate) catabolic process
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0045202 synapse
GO:0098978 glutamatergic synapse

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8g9c, PDBe:8g9c, PDBj:8g9c
PDBsum8g9c
PubMed37773020
UniProtO95989|NUDT3_HUMAN Diphosphoinositol polyphosphate phosphohydrolase 1 (Gene Name=NUDT3)

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