Structure of PDB 7e1z Chain B Binding Site BS01

Receptor Information
>7e1z Chain B (length=294) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSWKKFIWNSEKKEFLGRTGGSWFKILLFYVIFYGCLAGIFIGTIQVMLL
TISEFKPTYQDRVAPPGLTQIPQIQKTEISFRPNDPKSYEAYVLNIVRFL
EKYKDSAQRDDMIFEDCGDVPSEPKERGDFNHERGERKVCRFKLEWLGNC
SGLNDETYGYKEGKPCIIIKLNRVLGFKPKPPKNESLETYPVMKYNPNVL
PVQCTGKRDEDKDKVGNVEYFGLGNSPGFPLQYYPYYGKLLQPKYLQPLL
AVQFTNLTMDTEIRIECKAYGENIGYSEKDRFQGRFDVKIEVKS
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 1109 [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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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)		F50 I51 I54 Q55
Binding residue
(residue number reindexed from 1)		F41 I42 I45 Q46
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0001671 ATPase activator activity
GO:0005391 P-type sodium:potassium-exchanging transporter activity
GO:0005515 protein binding
GO:0019901 protein kinase binding
GO:0023026 MHC class II protein complex binding
GO:0030674 protein-macromolecule adaptor activity
GO:0046982 protein heterodimerization activity
GO:0051117 ATPase binding
Biological Process
GO:0006813 potassium ion transport
GO:0006814 sodium ion transport
GO:0006874 intracellular calcium ion homeostasis
GO:0006883 intracellular sodium ion homeostasis
GO:0007155 cell adhesion
GO:0010248 establishment or maintenance of transmembrane electrochemical gradient
GO:0010468 regulation of gene expression
GO:0010882 regulation of cardiac muscle contraction by calcium ion signaling
GO:0030007 intracellular potassium ion homeostasis
GO:0032781 positive regulation of ATP-dependent activity
GO:0035725 sodium ion transmembrane transport
GO:0036376 sodium ion export across plasma membrane
GO:0044861 protein transport into plasma membrane raft
GO:0045087 innate immune response
GO:0046034 ATP metabolic process
GO:0050821 protein stabilization
GO:0055119 relaxation of cardiac muscle
GO:0060048 cardiac muscle contraction
GO:0072659 protein localization to plasma membrane
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:0098655 monoatomic cation transmembrane transport
GO:1901018 positive regulation of potassium ion transmembrane transporter activity
GO:1902600 proton transmembrane transport
GO:1903169 regulation of calcium ion transmembrane transport
GO:1903278 positive regulation of sodium ion export across plasma membrane
GO:1903288 positive regulation of potassium ion import across plasma membrane
GO:1903408 positive regulation of P-type sodium:potassium-exchanging transporter activity
GO:1990573 potassium ion import across plasma membrane
Cellular Component
GO:0005886 plasma membrane
GO:0005890 sodium:potassium-exchanging ATPase complex
GO:0014704 intercalated disc
GO:0016020 membrane
GO:0016323 basolateral plasma membrane
GO:0016324 apical plasma membrane
GO:0016328 lateral plasma membrane
GO:0030315 T-tubule
GO:0031090 organelle membrane
GO:0036126 sperm flagellum
GO:0042383 sarcolemma
GO:0070062 extracellular exosome
GO:1903561 extracellular vesicle

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7e1z, PDBe:7e1z, PDBj:7e1z
PDBsum7e1z
PubMed35803952
UniProtP05026|AT1B1_HUMAN Sodium/potassium-transporting ATPase subunit beta-1 (Gene Name=ATP1B1)

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