Structure of PDB 8d3u Chain A Binding Site BS02

Receptor Information

>8d3u Chain A (length=971) Species: 9606 (Homo sapiens)

EHKMSVEEVCRKYNTDCVQGLTHSKAQEILARDGPNALTPPPTTPEWVKF
CRQLFGGFSILLWIGAILCFLAYGIQAGTEDDPSGDNLYLGIVLAAVVII
TGCFSYYQEAKSSKIMESFKNMVPQQALVIREGEKMQVNAEEVVVGDLVE
IKGGDRVPADLRIISAHGCKVDNSSLTGESEPQTRSPDCTHDNPLETRNI
TFFSTNCVEGTARGVVVATGDRTVMGRIKTPIAIEIEHFIQLITGVAVFL
GVSFFILSLILGYTWLEAVIFLIGIIVANVPEGLLATVTVCLTLTAKRMA
RKNCLVKNLEAVETLGSTSTICSDKTGTLTQNRMTVAHMWFDNQIHEADT
TEDQSGTSFDKSSHTWVALSHIAGLCNRAVFKGGQDNIPVLKRDVAGDAS
ESALLKCIELSSGSVKLMRERNKKVAEIPFNSTNKYQLSIHETEDPNDNR
YLLVMKGAPERILDRCSTILLQGKEQPLDEEMKEAFQNAYLELGGLGERV
LGFCHYYLPEEQFPKGFAFDCDDVNFTTDNLCFVGLMSMIDPPRAAVPDA
VGKCRSAGIKVIMVTGDHPITAKAIAKGVGIISEGNETVEDIAARLNIPV
SQVNPRDAKACVIHGTDLKDFTSEQIDEILQNHTEIVFARTSPQQKLIIV
EGCQRQGAIVAVTGDGVNDSPALKKADIGVAMGIAGSDVSKQAADMILLD
DNFASIVTGVEEGRLIFDNLKKSIAYTLTSNIPEITPFLLFIMANIPLPL
GTITILCIDLGTDMVPAISLAYEAAESDIMKRQPRNPRTDKLVNERLISM
AYGQIGMIQALGGFFSYFVILAENGFLPGNLVGIRLNWDDRTVNDLEDSY
GQQWTYEQRKVVEFTCHTAFFVSIVVVQWADLIICKTRRNSVFQQGMKNK
ILIFGLFEETALAAFLSYCPGMDVALRMYPLKPSWWFCAFPYSFLIFVYD
EIRKLILRRNPGGWVEKETYY

Ligand information

• Ligand ID: ALF
• InChI: InChI=1S/Al.4FH/h;4*1H/q+3;;;;/p-4
• InChIKey: UYOMQIYKOOHAMK-UHFFFAOYSA-J
• SMILES:
  ACDLabs 10.04
  CACTVS 3.341
  OpenEye OEToolkits 1.5.0: F[Al-](F)(F)F
• Formula: Al F4
• Name: TETRAFLUOROALUMINATE ION
• DrugBank: DB04444
• PDB chain: 8d3u Chain A Residue 1102

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8d3u Structural basis for gating mechanism of the human sodium-potassium pump.
• Resolution: 3.7 Å
• Binding residue (original residue number in PDB): D366 T368 D707 N710
• Binding residue (residue number reindexed from 1): D324 T326 D665 N668
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 7.2.2.13: Na(+)/K(+)-exchanging ATPase.

Gene Ontology

Molecular Function

• GO:0000166 nucleotide binding
• GO:0001540 amyloid-beta 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:0016887 ATP hydrolysis activity
• GO:0046872 metal ion binding
• GO:0051087 protein-folding chaperone binding
• GO:1990239 steroid hormone 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:0034220 monoatomic ion transmembrane transport
• GO:0036376 sodium ion export across plasma membrane
• GO:0060075 regulation of resting membrane potential
• GO:0071383 cellular response to steroid hormone stimulus
• GO:0086064 cell communication by electrical coupling involved in cardiac conduction
• GO:1902600 proton transmembrane transport
• GO:1903416 response to glycoside
• GO:1904646 cellular response to amyloid-beta
• GO:1990535 neuron projection maintenance
• GO:1990573 potassium ion import across plasma membrane

Cellular Component

• GO:0001917 photoreceptor inner segment
• GO:0005783 endoplasmic reticulum
• GO:0005794 Golgi apparatus
• GO:0005886 plasma membrane
• GO:0005890 sodium:potassium-exchanging ATPase complex
• GO:0016020 membrane
• GO:0030424 axon
• GO:0031090 organelle membrane
• GO:0032809 neuronal cell body membrane
• GO:0043025 neuronal cell body
• GO:0045202 synapse
• GO:0060342 photoreceptor inner segment membrane
• GO:0098984 neuron to neuron synapse
• GO:1903561 extracellular vesicle

External links

• PDB: RCSB:8d3u, PDBe:8d3u, PDBj:8d3u
• PDBsum: 8d3u
• PubMed: 36075933
• UniProt: P13637|AT1A3_HUMAN Sodium/potassium-transporting ATPase subunit alpha-3 (Gene Name=ATP1A3)