Structure of PDB 7wyw Chain A Binding Site BS01

Receptor Information
>7wyw Chain A (length=993) Species: 7797 (Squalus acanthias) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DLDELKKEVSMDDHKLSLDELHNKYGTDLTRGLTNARAKEILARDGPNSL
TPPPTTPEWIKFCRQLFGGFSILLWIGAILCFLAYGIQAATEDEPANDNL
YLGVVLSTVVIVTGCFSYYQEAKSSRIMDSFKNMVPQQALVIRDGEKSTI
NAEFVVAGDLVEVKGGDRIPADLRIISAHGCKVDNSSLTGESEPQTRSPE
FSSENPLETRNIAFFSTNCVEGTARGVVVYTGDRTVMGRIATLASGLEVG
RTPIAIEIEHFIHIITGVAVFLGVSFFILSLILGYSWLEAVIFLIGIIVA
NVPEGLLATVTVCLTLTAKRMARKNCLVKNLEAVETLGSTSTICSDKTGT
LTQNRMTVAHMWFDNQIHEADTTENQSGAAFDKTSATWSALSRIAALCNR
AVFQAGQDNVPILKRSVAGDASESALLKCIELCCGSVQGMRDRNPKIVEI
PFNSTNKYQLSIHENEKSSESRYLLVMKGAPERILDRCSTILLNGAEEPL
KEDMKEAFQNAYLELGGLGERVLGFCHFALPEDKYNEGYPFDADEPNFPT
TDLCFVGLMAMIDPPRAAVPDAVGKCRSAGIKVIMVTGDHPITAKAIAKG
VGIISEGNETIEDIAARLNIPIGQVNPRDAKACVVHGSDLKDLSTEVLDD
ILHYHTEIVFARTSPQQKLIIVEGCQRQGAIVAVTGDGVNDSPALKKADI
GVAMGISGSDVSKQAADMILLDDNFASIVTGVEEGRLIFDNLKKSIAYTL
TSNIPEITPFLVFIIGNVPLPLGTVTILCIDLGTDMVPAISLAYEQAESD
IMKRQPRNPKTDKLVNERLISMAYGQIGMIQALGGFFSYFVILAENGFLP
MDLIGKRVRWDDRWISDVEDSFGQQWTYEQRKIVEFTCHTSFFISIVVVQ
WADLIICKTRRNSIFQQGMKNKILIFGLFEETALAAFLSYCPGTDVALRM
YPLKPSWWFCAFPYSLIIFLYDEMRRFIIRRSPGGWVEQETYY
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 chain7wyw 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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PDB7wyw Cryoelectron microscopy of Na + ,K + -ATPase in the two E2P states with and without cardiotonic steroids.
Resolution3.8 Å
Binding residue
(original residue number in PDB)		X376 T378 D717
Binding residue
(residue number reindexed from 1)		X346 T348 D687
Annotation score1
Enzymatic activity
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:7wyw, PDBe:7wyw, PDBj:7wyw
PDBsum7wyw
PubMed35380894
UniProtQ4H132

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