Structure of PDB 6qxa Chain A Binding Site BS07

Receptor Information
>6qxa Chain A (length=725) Species: 243274 (Thermotoga maritima MSB8) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YVAALFFLIPLVALGFAAANFAAVVRKPEGTERMKEISSYIRSGADSFLA
HETKAIFKVAIVIAILLMIFTTWQTGVAFLLGAVMSASAGIVGMKMATRA
NVRVAEAARTTKKIGPALKVAYQGGSVMGLSVGGFALLGLVLVYLIFGKW
MGQVDNLNIYTNWLGINFVPFAMTVSGYALGCSIIAMFDRVGGGVYTKAA
DMAADLVGKTELNLPEDDPRNPATIADNVGDNVGDVAGLGADLLESFVGA
IVSSIILASYMFPIYVQKIGENLVHQVPKETIQALISYPIFFALVGLGCS
MLGILYVIVKKPSDNPQRELNISLWTSALLTVVLTAFLTYFYLKDLQGLD
VLGFRFGAISPWFSAIIGIFSGILIGFWAEYYTSYRYKPTQFLGKSSIEG
TGMVISNGLSLGMKSVFPPTLTLVLGILFADYFAGLYGVAIAALGMLSFV
ATSVSVDSYGPIADNAGGISEMCELDPEVRKITDHLDAVGNTTAAIGKGF
AIGSAIFAALSLFASYMFSQISPSDIGKPPSLVLLLNMLDARVIAGALLG
AAITYYFSGYLISAVTKAAMKMVDEIRRQAREIPGLLEGKAKPDYNRCIE
ITSDNALKQMGYPAFIAILTPLVTGFLLGAEFVGGVLIGTVLSGAMLAIL
TANSGGAWDNAKKYLEAGNLEGYGKGSEPHKALVIGDTVGDPLKDTVGPS
LDILIKIMSVVSVIAVSIFKHVHLF
Ligand information
Ligand IDNA
InChIInChI=1S/Na/q+1
InChIKeyFKNQFGJONOIPTF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[Na+]
FormulaNa
NameSODIUM ION
ChEMBL
DrugBankDB14516
ZINC
PDB chain6qxa Chain A Residue 807 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6qxa Asymmetry in catalysis byThermotoga maritimamembrane-bound pyrophosphatase demonstrated by a nonphosphorus allosteric inhibitor.
Resolution3.41 Å
Binding residue
(original residue number in PDB)		D243 E246 S247 D703 I704 K707
Binding residue
(residue number reindexed from 1)		D242 E245 S246 D702 I703 K706
Annotation score5
Enzymatic activity
Enzyme Commision number 7.2.3.1: Na(+)-exporting diphosphatase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0004427 inorganic diphosphate phosphatase activity
GO:0005509 calcium ion binding
GO:0005515 protein binding
GO:0009678 diphosphate hydrolysis-driven proton transmembrane transporter activity
GO:0015081 sodium ion transmembrane transporter activity
GO:0030955 potassium ion binding
GO:0042803 protein homodimerization activity
GO:0046872 metal ion binding
Biological Process
GO:0006814 sodium ion transport
GO:0035725 sodium ion transmembrane transport
GO:1902600 proton transmembrane transport
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane

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Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:6qxa, PDBe:6qxa, PDBj:6qxa
PDBsum6qxa
PubMed31131322
UniProtQ9S5X0|HPPA_THEMA K(+)-stimulated pyrophosphate-energized sodium pump (Gene Name=hppA)

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