7D91: PDB entry 7D91

Crystal Structure of the Na+,K+-ATPase in the E2P state with bound Mg2+ (P4(3)2(1)2 symmetry). Determined by X-ray diffraction at 3.35 Å resolution. Released 27 Jan 2021.

Method
X-ray diffraction
Resolution
3.35 Å
Organism
Sus scrofa
Chains
3
Atoms
10,718
Mol. weight
164.84 kDa
Ligands
CLR, BEF, NAG, PCW
Released
27 Jan 2021

Explore 7D91 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

7D91 contains 67 α-helices and 54 β-strands across 3 chains. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.

Chain A: 55 helices, 36 β-strands

ElementResiduesLengthSheet
α-helix22-309
α-helix32-332
α-helix41-488
β-strand5111
β-strand5511
α-helix58-658
α-helix73-786
α-helix81-9010
α-helix93-11220
α-helix121-15434
β-strand162-16652
β-strand169-17352
α-helix175-1773
β-strand184-18632
β-strand191-19223
β-strand195-20172
β-strand204-20743
α-helix2171
β-strand218-22033
β-strand235-23622
β-strand240-24233
β-strand247-25372
α-helix255-2573
α-helix259-26810
α-helix276-30631
α-helix310-32314
α-helix329-34618
β-strand349-35134
α-helix356-3627
β-strand365-36844
α-helix370-3745
β-strand37515
β-strand380-38676
β-strand390-39236
α-helix409-42012
β-strand42617
β-strand44017
α-helix444-45613
α-helix461-4655
β-strand469-47356
β-strand482-48766
β-strand496-50276
α-helix504-5096
β-strand511-51666
β-strand519-52136
α-helix525-54016
β-strand54416
β-strand547-55156
β-strand576-585106
α-helix586-5872
β-strand58815
α-helix5891
α-helix592-60211
α-helix6041
β-strand605-60954
α-helix614-62411
α-helix634-6418
α-helix650-6523
β-strand655-65954
α-helix660-6634
α-helix668-6769
β-strand680-68454
α-helix688-70013
β-strand705-70954
α-helix712-7143
α-helix715-7206
β-strand723-72754
α-helix733-7375
β-strand741-74334
α-helix750-77425
α-helix777-78812
α-helix797-8026
α-helix803-8075
α-helix809-8146
α-helix824-8263
α-helix828-8314
α-helix840-8434
α-helix844-8507
α-helix851-86818
α-helix874-8763
α-helix880-8834
β-strand891-89228
β-strand898-89928
α-helix901-93030
α-helix937-9404
α-helix945-96319
α-helix967-9704
α-helix978-9803
α-helix985-100420
α-helix10091
α-helix1010-10145
Chain B: 11 helices, 18 β-strands
ElementResiduesLengthSheet
β-strand2419
β-strand2719
α-helix29-6032
α-helix70-723
β-strand76110
β-strand77-79311
β-strand87-90412
α-helix95-984
α-helix99-10810
α-helix109-1113
β-strand123-124213
α-helix146-1472
β-strand148-149213
α-helix153-1553
β-strand175-180611
β-strand184114
β-strand208-210315
β-strand211-214412
α-helix220-2234
β-strand227-230411
α-helix232-2343
β-strand237-239315
α-helix240-2423
β-strand245114
α-helix247-2504
β-strand258-263611
β-strand272-278712
β-strand292110
β-strand296-301612
Chain G: 1 helix, 0 β-strands
ElementResiduesLengthSheet
α-helix23-4523

Molecules and chains

MoleculeChainsTypeLengthOrganismUniProt
Sodium/potassium-transporting ATPase subunit alpha-1Aprotein1016Sus scrofaP05024 (AlphaFold model)
Sodium/potassium-transporting ATPase subunit beta-1Bprotein303Sus scrofaP05027 (AlphaFold model)
FXYD domain-containing ion transport regulatorGprotein65Sus scrofaQ58K79 (AlphaFold model)
Sequence of entity 1 (A), FASTA
>7D91_1 Sodium/potassium-transporting ATPase subunit alpha-1 (chains A)
GRDKYEPAAVSEHGDKKKAKKERDMDELKKEVSMDDHKLSLDELHRKYGTDLSRGLTPAR
AAEILARDGPNALTPPPTTPEWVKFCRQLFGGFSMLLWIGAILCFLAYGIQAATEEEPQN
DNLYLGVVLSAVVIITGCFSYYQEAKSSKIMESFKNMVPQQALVIRNGEKMSINAEEVVV
GDLVEVKGGDRIPADLRIISANGCKVDNSSLTGESEPQTRSPDFTNENPLETRNIAFFST
NCVEGTARGIVVYTGDRTVMGRIATLASGLEGGQTPIAAEIEHFIHIITGVAVFLGVSFF
ILSLILEYTWLEAVIFLIGIIVANVPEGLLATVTVCLTLTAKRMARKNCLVKNLEAVETL
GSTSTICSDKTGTLTQNRMTVAHMWSDNQIHEADTTENQSGVSFDKTSATWLALSRIAGL
CNRAVFQANQENLPILKRAVAGDASESALLKCIELCCGSVKEMRERYTKIVEIPFNSTNK
YQLSIHKNPNTAEPRHLLVMKGAPERILDRCSSILIHGKEQPLDEELKDAFQNAYLELGG
LGERVLGFCHLFLPDEQFPEGFQFDTDDVNFPLDNLCFVGLISMIDPPRAAVPDAVGKCR
SAGIKVIMVTGDHPITAKAIAKGVGIISEGNETVEDIAARLNIPVSQVNPRDAKACVVHG
SDLKDMTSEQLDDILKYHTEIVFARTSPQQKLIIVEGCQRQGAIVAVTGDGVNDSPASKK
ADIGVAMGIAGSDVSKQAADMILLDDNFASIVTGVEEGRLIFDNLKKSIAYTLTSNIPEI
TPFLIFIIANIPLPLGTVTILCIDLGTDMVPAISLAYEQAESDIMKRQPRNPKTDKLVNE
QLISMAYGQIGMIQALGGFFTYFVILAENGFLPIHLLGLRVNWDDRWINDVEDSYGQQWT
YEQRKIVEFTCHTPFFVTIVVVQWADLVICKTRRNSVFQQGMKNKILIFGLFEETALAAF
LSYCPGMGVALRMYPLKPTWWFCAFPYSLLIFVYDEVRKLIIRRRPGGWVEKETYY
Sequence of entity 2 (B), FASTA
>7D91_2 Sodium/potassium-transporting ATPase subunit beta-1 (chains B)
MARGKAKEEGSWKKFIWNSEKKEFLGRTGGSWFKILLFYVIFYGCLAGIFIGTIQVMLLT
ISEFKPTYQDRVAPPGLTQIPQSQKTEISFRPNDPQSYESYVVSIVRFLEKYKDLAQKDD
MIFEDCGNVPSELKERGEYNNERGERKVCRFRLEWLGNCSGLNDETYGYKDGKPCVIIKL
NRVLGFKPKPPKNESLETYPVMKYNPYVLPVHCTGKRDEDKEKVGTMEYFGLGGYPGFPL
QYYPYYGKLLQPKYLQPLMAVQFTNLTMDTEIRIECKAYGENIGYSEKDRFQGRFDVKIE
VKS
Sequence of entity 3 (G), FASTA
>7D91_3 FXYD domain-containing ion transport regulator (chains G)
MAGLSTDDGGSPKGDVDPFYYDYETVRNGGLIFAALAFIVGLIIILSKRLRCGGKKHRPI
NEDEL

Ligands and cofactors

IDNameFormulaCopies
CLRCholesterolC27 H46 O2
BEFBeryllium trifluoride ionBe F31
NAG2-acetamido-2-deoxy-beta-D-glucopyranoseC8 H15 N O61
PCW1,2-dioleoyl-sn-glycero-3-phosphocholineC44 H85 N O8 P11
MGMagnesium ionMg3

Primary citation

Binding of cardiotonic steroids to Na + ,K + -ATPase in the E2P state. Kanai, R., Cornelius, F., Ogawa, H. et al. Proc Natl Acad Sci U S A (2021) 118. DOI 10.1073/pnas.2020438118 · PubMed

Other PDB entries of the same protein (UniProt P05024 (AlphaFold model), which also has an AlphaFold model), best resolution first:

Browse structure collections

About this viewer

MolViewer shows 7D91 directly in your browser with nothing to install. Switch between cartoon, ball-and-stick, spacefill and surface views, color by chain, secondary structure or B-factor, measure distances, angles and dihedrals, and share or embed the view.