Structure of PDB 5aw5 Chain A Binding Site BS02

Receptor Information
>5aw5 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 IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain5aw5 Chain A Residue 2002 [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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PDB5aw5 Sequential substitution of K(+) bound to Na(+),K(+)-ATPase visualized by X-ray crystallography.
Resolution2.9 Å
Binding residue
(original residue number in PDB)		D376 T378 D717
Binding residue
(residue number reindexed from 1)		D345 T347 D686
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:5aw5, PDBe:5aw5, PDBj:5aw5
PDBsum5aw5
PubMed26258479
UniProtQ4H132

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