Structure of PDB 6k27 Chain D Binding Site BS02

Receptor Information
>6k27 Chain D (length=173) Species: 470 (Acinetobacter baumannii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SYNNIPAGKDAPNDIYVIIEIPANAAPIKYEIDKDSDALFVDRFMGTAMF
YPANYGYVPNTLSEDGDPLDVLVVTPYPVAAGSVIRCRPVGKLNMEDDGG
IDAKLIAVPHEKLSPLYKDVKEYTDLPQLLINQVEHFFSHYKDLEPGKWV
KISGWEGADVAKAEVIKAIEAAK
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 chain6k27 Chain D Residue 203 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6k27 Crystal Structures of Pyrophosphatase from Acinetobacter baumannii: Snapshots of Pyrophosphate Binding and Identification of a Phosphorylated Enzyme Intermediate.
Resolution1.86 Å
Binding residue
(original residue number in PDB)		D65 D70
Binding residue
(residue number reindexed from 1)		D65 D70
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
GO:0016787 hydrolase activity
GO:0046872 metal ion binding
Biological Process
GO:0006796 phosphate-containing compound metabolic process
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6k27, PDBe:6k27, PDBj:6k27
PDBsum6k27
PubMed31500178
UniProtA0A0A7XPH7

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