Structure of PDB 5aw2 Chain A Binding Site BS01

Receptor Information
>5aw2 Chain A (length=992) Species: 7797 (Squalus acanthias) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LDELKKEVSMDDHKLSLDELHNKYGTDLTRGLTNARAKEILARDGPNSLT
PPPTTPEWIKFCRQLFGGFSILLWIGAILCFLAYGIQAATEDEPANDNLY
LGVVLSTVVIVTGCFSYYQEAKSSRIMDSFKNMVPQQALVIRDGEKSTIN
AEFVVAGDLVEVKGGDRIPADLRIISAHGCKVDNSSLTGESEPQTRSPEF
SSENPLETRNIAFFSTNCVEGTARGVVVYTGDRTVMGRIATLASGLEVGR
TPIAIEIEHFIHIITGVAVFLGVSFFILSLILGYSWLEAVIFLIGIIVAN
VPEGLLATVTVCLTLTAKRMARKNCLVKNLEAVETLGSTSTICSDKTGTL
TQNRMTVAHMWFDNQIHEADTTENQSGAAFDKTSATWSALSRIAALCNRA
VFQAGQDNVPILKRSVAGDASESALLKCIELCCGSVQGMRDRNPKIVEIP
FNSTNKYQLSIHENEKSSESRYLLVMKGAPERILDRCSTILLNGAEEPLK
EDMKEAFQNAYLELGGLGERVLGFCHFALPEDKYNEGYPFDADEPNFPTT
DLCFVGLMAMIDPPRAAVPDAVGKCRSAGIKVIMVTGDHPITAKAIAKGV
GIISEGNETIEDIAARLNIPIGQVNPRDAKACVVHGSDLKDLSTEVLDDI
LHYHTEIVFARTSPQQKLIIVEGCQRQGAIVAVTGDGVNDSPALKKADIG
VAMGISGSDVSKQAADMILLDDNFASIVTGVEEGRLIFDNLKKSIAYTLT
SNIPEITPFLVFIIGNVPLPLGTVTILCIDLGTDMVPAISLAYEQAESDI
MKRQPRNPKTDKLVNERLISMAYGQIGMIQALGGFFSYFVILAENGFLPM
DLIGKRVRWDDRWISDVEDSFGQQWTYEQRKIVEFTCHTSFFISIVVVQW
ADLIICKTRRNSIFQQGMKNKILIFGLFEETALAAFLSYCPGTDVALRMY
PLKPSWWFCAFPYSLIIFLYDEMRRFIIRRSPGGWVEQETYY
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 chain5aw2 Chain A 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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PDB5aw2 Sequential substitution of K(+) bound to Na(+),K(+)-ATPase visualized by X-ray crystallography.
Resolution3.2 Å
Binding residue
(original residue number in PDB)		T219 E221 D376 K377 T378 T617 K698
Binding residue
(residue number reindexed from 1)		T188 E190 D345 K346 T347 T586 K667
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D376 D717 D721
Catalytic site (residue number reindexed from 1) D345 D686 D690
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0005215 transporter activity
GO:0005391 P-type sodium:potassium-exchanging transporter activity
GO:0005524 ATP binding
GO:0008556 P-type potassium transmembrane 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:0010248 establishment or maintenance of transmembrane electrochemical gradient
GO:0030007 intracellular potassium ion homeostasis
GO:0036376 sodium ion export across plasma membrane
GO:1902600 proton transmembrane transport
GO:1990573 potassium ion import across plasma membrane
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:5aw2, PDBe:5aw2, PDBj:5aw2
PDBsum5aw2
PubMed26258479
UniProtQ4H132

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