Structure of PDB 8b37 Chain A Binding Site BS01

Receptor Information
>8b37 Chain A (length=676) Species: 13773 (Pyrobaculum aerophilum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YALLGVILGISGVIYAVYLAVWVLRNEKMRFISQAIATGARAYLFRQYRT
LAVLLVILAVLILVAIDGLTALAFIVGALGSMLAGYLGMYVTTRSASRVA
QAAATGGMGKALLVSWRAGAVMGLSLASIALLLISGFYLVFRSVLPDDWA
VPLVALGFGASLVTLFMRVGGGIYTKAADLGADLVGKEDDPRNPGVIADN
VGDNVGDVAGMAADVYESYIVTVTAAIFLAAILGLPTQFIEAIILFAALA
LVATFAGVNLLGVKHPLSSISLAIYATIGLSVVLFFIGAFTLGLDSTKAL
ALAATTSLGAVIAPLIVKITDYYTSYNYGPVRKIAEQAKISPATVIITGY
GVGLMSAIPVIAVIVAVLGISYMIGYYTVFGELSKYLAGIFGTAMASVGL
LVVAGIIITADSYGPVSDNAGGVVEMAGLPDEVREITDVLDSVGNTTKAT
TKGYAIASAALAALVLFIALIFEIVYSASKDMISESLSGLQLINANVLIG
AFLGVALVYFFSSRTLEAVGRTAMEIVEEIRRQFREKPGILEPDYARVVD
IATRRALGEFLIPGLAAIVLPLITGLLLGWNALAGLIMGAIVAGVPRALL
MANAGGAWDNAKKYIEIQGLKKTEMHKAAVIGDTVGDPMKDTVGPSLNPL
IKVLNTLSVVFTYVIVSTNIALGIWP
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 chain8b37 Chain A Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8b37 Functional and structural asymmetry suggest a unifying principle for catalysis in membrane-bound pyrophosphatases.
Resolution3.84 Å
Binding residue
(original residue number in PDB)		D194 D198
Binding residue
(residue number reindexed from 1)		D179 D183
Annotation score1
Enzymatic activity
Enzyme Commision number 7.1.3.1: H(+)-exporting diphosphatase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0004427 inorganic diphosphate phosphatase activity
GO:0009678 diphosphate hydrolysis-driven proton transmembrane transporter activity
GO:0046872 metal ion binding
Biological Process
GO:1902600 proton transmembrane transport
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8b37, PDBe:8b37, PDBj:8b37
PDBsum8b37
PubMed38182815
UniProtQ8ZWI8|HPPA_PYRAE K(+)-insensitive pyrophosphate-energized proton pump (Gene Name=hppA)

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