Structure of PDB 8ijl Chain A Binding Site BS01

Receptor Information
>8ijl Chain A (length=982) Species: 10114 (Rattus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DDHRLSNTELEQKYGTNIIQGLSSVRATELLARDGPNTLTPPKQTPEIIK
FLKQMVGGFSILLWIGAALCWIAFVIQYVNNSASLDNVYLGAILVLVVIL
TGIFAYYQEAKSTNIMASFSKMIPQQALVIRDAEKKVISAEQLVVGDVVE
IKGGDQIPADIRLVFSQGCKVDNSSLTGESEPQARSTEFTHENPLETKNI
GFYSTTCLEGTATGIVINTGDRTIIGRIASLASGVGSEKTPIAIEIEHFV
HIVAGVAVSIGIIFFITAVCMKYYVLDAIIFLISIIVANVPEGLLATVTV
TLSLTAKRMAKKNCLVKNLEAVETLGSTSIICSDKTGTLTQNRMTVAHLW
FDNQIFVADTSENQTKQAFDQSSGTWASLSKIITLCNRAEFRPGQESVPI
MKRTVVGDASETALLKFSEVILGDVMGIRKRNHKVAEIPFNSTNKFQLSI
HETEDPNNKRFLVVMKGAPERILEKCSTIMINGQEQPLDKSSADSFHTAY
MELGGLGERVLGFCHLYLPAEQFPQSYIFDVDSVNFPTSNFCFVGLLSMI
DPPRSTVPDAVSKCRSAGIKVIMVTGDHPITAKAIAKSVGIISANNETVE
DIAKRRNIAVEQVNKREAKAAVVTGMELKDMTPEQLDELLTNYQEIVFAR
TSPQQKLIIVEGCQRQDAIVAVTGDGVNDSPALKKADIGIAMGIAGSDAA
KNAADMVLLDDNFASIVTGVEEGRLIFDNLKKTIAYTLTKNIAELCPFLI
YIVAGLPLPIGTITILFIDLGTDIIPSIALAYEKAESDIMNRKPRHKKKD
RLVNTQLAIYSYLHIGLMQALGGFLVYFTVYAQQGFWPTSLINLRVAWET
DDINDLEDSYGQEWTRYQRKYLEWTGSTAFFVAIMIQQIADLIIRKTRRN
SIFQQGLFRNKVIWVGIASQVIVALILSYGLGSVPALSFTMLRVQYWFVA
VPHAILIWVYDEMRKLFIRLYPGSWWDKNMYY
Ligand information
Ligand IDALF
InChIInChI=1S/Al.4FH/h;4*1H/q+3;;;;/p-4
InChIKeyUYOMQIYKOOHAMK-UHFFFAOYSA-J
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		F[Al-](F)(F)F
FormulaAl F4
NameTETRAFLUOROALUMINATE ION
ChEMBL
DrugBankDB04444
ZINC
PDB chain8ijl Chain A Residue 1101 [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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PDB8ijl An unusual conformation from Na + -sensitive non-gastric proton pump mutants reveals molecular mechanisms of cooperative Na + -binding.
Resolution2.62 Å
Binding residue
(original residue number in PDB)		G232 D388 T390 T629 K710 N732 D733
Binding residue
(residue number reindexed from 1)		G178 D334 T336 T575 K656 N678 D679
Annotation score1
Enzymatic activity
Enzyme Commision number 7.2.2.13: Na(+)/K(+)-exchanging ATPase.
7.2.2.19: H(+)/K(+)-exchanging ATPase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0005215 transporter activity
GO:0005391 P-type sodium:potassium-exchanging transporter activity
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0008556 P-type potassium transmembrane transporter activity
GO:0008900 P-type potassium:proton transporter activity
GO:0016887 ATP hydrolysis activity
GO:0046872 metal ion binding
Biological Process
GO:0006813 potassium ion transport
GO:0006814 sodium ion transport
GO:0006883 intracellular sodium ion homeostasis
GO:0006885 regulation of pH
GO:0010038 response to metal ion
GO:0010248 establishment or maintenance of transmembrane electrochemical gradient
GO:0014070 response to organic cyclic compound
GO:0030007 intracellular potassium ion homeostasis
GO:0036376 sodium ion export across plasma membrane
GO:0055075 potassium ion homeostasis
GO:1902600 proton transmembrane transport
GO:1990573 potassium ion import across plasma membrane
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0016323 basolateral plasma membrane
GO:0016324 apical plasma membrane

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8ijl, PDBe:8ijl, PDBj:8ijl
PDBsum8ijl
PubMed37482134
UniProtP54708|AT12A_RAT Potassium-transporting ATPase alpha chain 2 (Gene Name=Atp12a)

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