Structure of PDB 5wrt Chain A Binding Site BS01

Receptor Information
>5wrt Chain A (length=235) Species: 5811 (Toxoplasma gondii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VYRRLVSGTEGEKDFRVLLSKKSGERLSPWHDIPLFPNGRDARPLLFNMV
VEIPKNTRRKMEMQLRLPFTPIMQDLKKDGSLREYASTLYWNYGAFPQTW
EDPREPGGREVFHARGDGDPLDVVEIGSEVLPVGGVVPVKVLGALAMIDG
GELDWKVLAIREGDPLFSQLNSVADVERLCRGVVPGIREWFRWYKLPTDN
VVNQFGHDEAALPAADAERVVYRAHEHYLRLLSEE
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 chain5wrt Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5wrt Structural and Biochemical Characterization of Apicomplexan Inorganic Pyrophosphatases
Resolution2.348 Å
Binding residue
(original residue number in PDB)		D190 D195 D227
Binding residue
(residue number reindexed from 1)		D117 D122 D154
Annotation score1
Enzymatic activity
Enzyme Commision number 3.6.1.1: inorganic diphosphatase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0004427 inorganic diphosphate phosphatase activity
Biological Process
GO:0006796 phosphate-containing compound metabolic process
Cellular Component
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:5wrt, PDBe:5wrt, PDBj:5wrt
PDBsum5wrt
PubMed28701714
UniProtQ4VUZ3

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