Structure of PDB 7aup Chain A Binding Site BS02

Receptor Information
>7aup Chain A (length=160) Species: 559292 (Saccharomyces cerevisiae S288C) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RENQVYSPVTGARLVAGCICLTPDKKQVLMITSSAHKKRWIVPKGGVEKD
EPNYETTAQRETWEEAGCIGKIVANLGTVEDMRPPQFENSRKDSEVAKHP
PRTEFHFYELEIENLLDKFPECHKRHRKLYSYTEAKQNLIDAKRPELLEA
LNRSAIIKDD
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 chain7aup Chain A Residue 202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7aup Multiple substrate recognition by yeast diadenosine and diphosphoinositol polyphosphate phosphohydrolase through phosphate clamping.
Resolution1.85 Å
Binding residue
(original residue number in PDB)		K63 E84
Binding residue
(residue number reindexed from 1)		K44 E65
Annotation score1
Enzymatic activity
Enzyme Commision number 3.6.1.10: endopolyphosphatase.
3.6.1.52: diphosphoinositol-polyphosphate diphosphatase.
3.6.1.60: diadenosine hexaphosphate hydrolase (AMP-forming).
Gene Ontology
Molecular Function
GO:0000298 endopolyphosphatase activity
GO:0008486 diphosphoinositol-polyphosphate diphosphatase activity
GO:0016462 pyrophosphatase activity
GO:0016787 hydrolase activity
GO:0034431 bis(5'-adenosyl)-hexaphosphatase activity
GO:0034432 bis(5'-adenosyl)-pentaphosphatase activity
GO:0046872 metal ion binding
GO:1990174 phosphodiesterase decapping endonuclease activity
Biological Process
GO:0006798 polyphosphate catabolic process
GO:0015961 diadenosine polyphosphate catabolic process
GO:0071543 diphosphoinositol polyphosphate metabolic process
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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7aup, PDBe:7aup, PDBj:7aup
PDBsum7aup
PubMed33893105
UniProtQ99321|DDP1_YEAST Diphosphoinositol polyphosphate phosphohydrolase DDP1 (Gene Name=DDP1)

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