Structure of PDB 6qxa Chain B Binding Site BS06

Receptor Information
>6qxa Chain B (length=715) 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
IVSSIILASYMFPIYVQVHQVPKETIQALISYPIFFALVGLGCSMLGILY
VIVKKPSDNPQRELNISLWTSALLTVVLTAFLTYFYLKLDVLGFRFGAIS
PWFSAIIGIFSGILIGFWAEYYTSYRYKPTQFLGKSSIEGTGMVISNGLS
LGMKSVFPPTLTLVLGILFADYFAGLYGVAIAALGMLSFVATSVSVDSYG
PIADNAGGISEMCELDPEVRKITDHLDAVGNTTAAIGKGFAIGSAIFAAL
SLFASYMFSQISPSDIGKPPSLVLLLNMLDARVIAGALLGAAITYYFSGY
LISAVTKAAMKMVDEIRRQAREIPGLLEGKAKPDYNRCIEITSDNALKQM
GYPAFIAILTPLVTGFLLGAEFVGGVLIGTVLSGAMLAILTANSGGAWDN
AKKYLEAGNLEGYGKGSEPHKALVIGDTVGDPLKDTVGPSLDILIKIMSV
VSVIAVSIFKHVHLF
Ligand information
Ligand ID2PN
InChIInChI=1S/H5NO6P2/c2-8(3,4)1-9(5,6)7/h(H5,1,2,3,4,5,6,7)
InChIKeyGNGSOPFGGKKDQP-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341O[P](O)(=O)N[P](O)(O)=O
OpenEye OEToolkits 1.5.0N(P(=O)(O)O)P(=O)(O)O
ACDLabs 10.04O=P(O)(O)NP(=O)(O)O
FormulaH5 N O6 P2
NameIMIDODIPHOSPHORIC ACID
ChEMBLCHEMBL265450
DrugBank
ZINCZINC000263621374
PDB chain6qxa Chain B Residue 806 [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)		D202 E217 K695
Binding residue
(residue number reindexed from 1)		D201 E216 K684
Annotation score1
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
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Biological Process
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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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