Structure of PDB 3b8e Chain C Binding Site BS05

Receptor Information
>3b8e Chain C (length=998) Species: 9823 (Sus scrofa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AKKERDMDELKKEVSMDDHKLSLDELHRKYGTDLSRGLTPARAAEILARD
GPNALTPPPTTPEWVKFCRQLFGGFSMLLWIGAILCFLAYGIQAATEEEP
QNDNLYLGVVLSAVVIITGCFSYYQEAKSSKIMESFKNMVPQQALVIRNG
EKMSINAEEVVVGDLVEVKGGDRIPADLRIISANGCKVDNSSLTGESEPQ
TRSPDFTNENPLETRNIAFFSTNCVEGTARGIVVYTGDRTVMGRIATLAS
GLEGGQTPIAAEIEHFIHIITGVAVFLGVSFFILSLILEYTWLEAVIFLI
GIIVANVPEGLLATVTVCLTLTAKRMARKNCLVKNLEAVETLGSTSTICS
DKTGTLTQNRMTVAHMWSDNQIHEADTTENQSGVSFDKTSATWLALSRIA
GLCNRAVFQANQENLPILKRAVAGDASESALLKCIELCCGSVKEMRERYT
KIVEIPFNSTNKYQLSIHKNPNTAEPRHLLVMKGAPERILDRCSSILIHG
KEQPLDEELKDAFQNAYLELGGLGERVLGFCHLFLPDEQFPEGFQFDTDD
VNFPLDNLCFVGLISMIDPPRAAVPDAVGKCRSAGIKVIMVTGDHPITAK
AIAKGVGIISEGNETVEDIAARLNIPVSQVNPRDAKACVVHGSDLKDMTS
EQLDDILKYHTEIVFARTSPQQKLIIVEGCQRQGAIVAVTGDGVNDSPAS
KKADIGVAMGIAGSDVSKQAADMILLDDNFASIVTGVEEGRLIFDNLKKS
IAYTLTSNIPEITPFLIFIIANIPLPLGTVTILCIDLGTDMVPAISLAYE
QAESDIMKRQPRNPKTDKLVNEQLISMAYGQIGMIQALGGFFTYFVILAE
NGFLPIHLLGLRVNWDDRWINDVEDSYGQQWTYEQRKIVEFTCHTPFFVT
IVVVQWADLVICKTRRNSVFQQGMKNKILIFGLFEETALAAFLSYCPGMG
VALRMYPLKPTWWFCAFPYSLLIFVYDEVRKLIIRRRPGGWVEKETYY
Ligand information
Ligand IDMF4
InChIInChI=1S/4FH.Mg/h4*1H;/q;;;;+2/p-4
InChIKeyXVYWAXYEHHUKQW-UHFFFAOYSA-J
SMILES
SoftwareSMILES
CACTVS 3.341F[Mg--](F)(F)F
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		F[Mg-2](F)(F)F
FormulaF4 Mg
NameTETRAFLUOROMAGNESATE(2-);
MAGNESIUMTETRAFLUORIDE
ChEMBL
DrugBank
ZINC
PDB chain3b8e Chain C Residue 2001 [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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PDB3b8e Crystal structure of the sodium-potassium pump.
Resolution3.5 Å
Binding residue
(original residue number in PDB)		D369 T610 G611
Binding residue
(residue number reindexed from 1)		D351 T592 G593
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D710 D714
Catalytic site (residue number reindexed from 1) D692 D696
Enzyme Commision number 7.2.2.13: Na(+)/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:0016887 ATP hydrolysis activity
GO:0030955 potassium ion binding
GO:0031402 sodium ion binding
GO:0046872 metal ion binding
GO:0051117 ATPase binding
Biological Process
GO:0002028 regulation of sodium ion transport
GO:0006813 potassium ion transport
GO:0006814 sodium ion transport
GO:0006883 intracellular sodium ion homeostasis
GO:0010248 establishment or maintenance of transmembrane electrochemical gradient
GO:0030007 intracellular potassium ion homeostasis
GO:0036376 sodium ion export across plasma membrane
GO:0055085 transmembrane transport
GO:0086009 membrane repolarization
GO:1902600 proton transmembrane transport
GO:1990573 potassium ion import across plasma membrane
Cellular Component
GO:0005886 plasma membrane
GO:0005890 sodium:potassium-exchanging ATPase complex
GO:0016020 membrane
GO:0016323 basolateral plasma membrane
GO:0030424 axon
GO:0042383 sarcolemma
GO:0042470 melanosome
GO:0042995 cell projection

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3b8e, PDBe:3b8e, PDBj:3b8e
PDBsum3b8e
PubMed18075585
UniProtP05024|AT1A1_PIG Sodium/potassium-transporting ATPase subunit alpha-1 (Gene Name=ATP1A1)

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