Structure of PDB 7e1z Chain A Binding Site BS08

Receptor Information
>7e1z Chain A (length=976) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SMDDHKLSLDELHRKYGTDLSRGLTSARAAEILARDGPNALTPPPTTPEW
IKFCRQLFGGFSMLLWIGAILCFLAYSIQAATEEEPQNDNLYLGVVLSAV
VIITGCFSYYQEAKSSKIMESFKNMVPQQALVIRNGEKMSINAEEVVVGD
LVEVKGGDRIPADLRIISANGCKVDNSSLTGESEPQTRSPDFTNENPLET
RNIAFFSTNCVEGTARGIVVYTGDRTVMGRIAGQTPIAAEIEHFIHIITG
VAVFLGVSFFILSLILEYTWLEAVIFLIGIIVANVPEGLLATVTVCLTLT
AKRMARKNCLVKNLEAVETLGSTSTICSDKTGTLTQNRMTVAHMWFDNQI
HEADTTENQSGVSFDKTSATWLALSRIAGLCNRAVFQANQENLPILKRAV
AGDASESALLKCIELCCGSVKEMRERYAKIVEIPFNSTNKYQLSIHKNPN
TSEPQHLLVMKGAPERILDRCSSILLHGKEQPLDEELKDAFQNAYLELGG
LGERVLGFCHLFLPDEQFPEGFQFDTDDVNFPIDNLCFVGLISMIDPPRA
AVPDAVGKCRSAGIKVIMVTGDHPITAKAIAKGVGIISEGNETVEDIAAR
LNIPVSQVNPRDAKACVVHGSDLKDMTSEQLDDILKYHTEIVFARTSPQQ
KLIIVEGCQRQGAIVAVTGDGVNDSPALKKADIGVAMGIAGSDVSKQAAD
MILLDDNFASIVTGVEEGRLIFDNLKKSIAYTLTSNIPEITPFLIFIIAN
IPLPLGTVTILCIDLGTDMVPAISLAYEQAESDIMKRQPRNPKTDKLVNE
RLISMAYGQIGMIQALGGFFTYFVILAENGFLPIHLLGLRVDWDDRWIND
VEDSYGQQWTYEQRKIVEFTCHTAFFVSIVVVQWADLVICKTRRNSVFQQ
GMKNKILIFGLFEETALAAFLSYCPGMGVALRMYPLKPTWWFCAFPYSLL
IFVYDEVRKLIIRRRPGGWVEKETYY
Ligand information
Ligand IDY01
InChIInChI=1S/C31H50O4/c1-20(2)7-6-8-21(3)25-11-12-26-24-10-9-22-19-23(35-29(34)14-13-28(32)33)15-17-30(22,4)27(24)16-18-31(25,26)5/h9,20-21,23-27H,6-8,10-19H2,1-5H3,(H,32,33)/t21-,23+,24+,25-,26+,27+,30+,31-/m1/s1
InChIKeyWLNARFZDISHUGS-MIXBDBMTSA-N
SMILES
SoftwareSMILES
CACTVS 3.352CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)CCC(O)=O
OpenEye OEToolkits 1.6.1CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)CCC(=O)O)C)C
OpenEye OEToolkits 1.6.1CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)CCC(=O)O)C)C
CACTVS 3.352CC(C)CCC[CH](C)[CH]1CC[CH]2[CH]3CC=C4C[CH](CC[C]4(C)[CH]3CC[C]12C)OC(=O)CCC(O)=O
FormulaC31 H50 O4
NameCHOLESTEROL HEMISUCCINATE
ChEMBL
DrugBank
ZINCZINC000058638837
PDB chain7e1z Chain A Residue 1108 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB7e1z Cryo-EM structures of recombinant human sodium-potassium pump determined in three different states.
Resolution3.2 Å
Binding residue
(original residue number in PDB)		I142 C145 F146 Q150
Binding residue
(residue number reindexed from 1)		I103 C106 F107 Q111
Annotation score1
Enzymatic activity
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:0016791 phosphatase activity
GO:0016887 ATP hydrolysis activity
GO:0030955 potassium ion binding
GO:0031402 sodium ion binding
GO:0044325 transmembrane transporter binding
GO:0046872 metal ion binding
GO:0046982 protein heterodimerization activity
GO:0051087 protein-folding chaperone binding
GO:1990239 steroid hormone binding
Biological Process
GO:0002026 regulation of the force of heart contraction
GO:0002028 regulation of sodium ion transport
GO:0006813 potassium ion transport
GO:0006814 sodium ion transport
GO:0006883 intracellular sodium ion homeostasis
GO:0007231 osmosensory signaling pathway
GO:0008217 regulation of blood pressure
GO:0009410 response to xenobiotic stimulus
GO:0010248 establishment or maintenance of transmembrane electrochemical gradient
GO:0030007 intracellular potassium ion homeostasis
GO:0031947 negative regulation of glucocorticoid biosynthetic process
GO:0034220 monoatomic ion transmembrane transport
GO:0036376 sodium ion export across plasma membrane
GO:0045822 negative regulation of heart contraction
GO:0045823 positive regulation of heart contraction
GO:0045989 positive regulation of striated muscle contraction
GO:0055078 sodium ion homeostasis
GO:0055119 relaxation of cardiac muscle
GO:0060047 heart contraction
GO:0071383 cellular response to steroid hormone stimulus
GO:0086002 cardiac muscle cell action potential involved in contraction
GO:0086009 membrane repolarization
GO:0086013 membrane repolarization during cardiac muscle cell action potential
GO:0086064 cell communication by electrical coupling involved in cardiac conduction
GO:1902600 proton transmembrane transport
GO:1903416 response to glycoside
GO:1990573 potassium ion import across plasma membrane
Cellular Component
GO:0005783 endoplasmic reticulum
GO:0005794 Golgi apparatus
GO:0005886 plasma membrane
GO:0005890 sodium:potassium-exchanging ATPase complex
GO:0014069 postsynaptic density
GO:0016020 membrane
GO:0016323 basolateral plasma membrane
GO:0016324 apical plasma membrane
GO:0016328 lateral plasma membrane
GO:0030315 T-tubule
GO:0030424 axon
GO:0031090 organelle membrane
GO:0032991 protein-containing complex
GO:0036126 sperm flagellum
GO:0042383 sarcolemma
GO:0042470 melanosome
GO:0042995 cell projection
GO:0045121 membrane raft
GO:0060342 photoreceptor inner segment membrane
GO:0070062 extracellular exosome
GO:1903561 extracellular vesicle

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7e1z, PDBe:7e1z, PDBj:7e1z
PDBsum7e1z
PubMed35803952
UniProtP05023|AT1A1_HUMAN Sodium/potassium-transporting ATPase subunit alpha-1 (Gene Name=ATP1A1)

[Back to BioLiP]