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- EMDB-37329: NaS1 with sulfate in IN/OUT state -

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Basic information

Entry
Database: EMDB / ID: EMD-37329
TitleNaS1 with sulfate in IN/OUT state
Map data
Sample
  • Complex: Structure of NaS1 in complex with sulfate
    • Protein or peptide: Solute carrier family 13 member 1
  • Ligand: SULFATE IONSulfate
  • Ligand: SODIUM IONSodium
KeywordsNaS1 / sulfate / TRANSPORT PROTEIN
Function / homology
Function and homology information


sodium:sulfate symporter activity / monoatomic anion:sodium symporter activity / Sodium-coupled sulphate, di- and tri-carboxylate transporters / sulfate transport / apical plasma membrane / plasma membrane
Similarity search - Function
Sodium:sulfate symporter transmembrane region / Sodium/sulphate symporter, conserved site / Sodium:sulfate symporter family signature. / Solute carrier family 13
Similarity search - Domain/homology
Solute carrier family 13 member 1
Similarity search - Component
Biological speciesHomo sapiens (human)
Methodsingle particle reconstruction / cryo EM / Resolution: 3.2 Å
AuthorsChi X / Chen Y / Li Y / Zhang Y / Shen Y / Wang Z / Yan R
Funding support China, 1 items
OrganizationGrant numberCountry
National Science Foundation (NSF, China)32100975 China
CitationJournal: Sci Adv / Year: 2024
Title: Cryo-EM structures of the human NaS1 and NaDC1 transporters revealed the elevator transport and allosteric regulation mechanism.
Authors: Ximin Chi / Yiming Chen / Yaning Li / Lu Dai / Yuanyuan Zhang / Yaping Shen / Yun Chen / Tianhao Shi / Haonan Yang / Zilong Wang / Renhong Yan /
Abstract: The solute carrier 13 (SLC13) family comprises electrogenic sodium ion-coupled anion cotransporters, segregating into sodium ion-sulfate cotransporters (NaSs) and sodium ion-di- and-tricarboxylate ...The solute carrier 13 (SLC13) family comprises electrogenic sodium ion-coupled anion cotransporters, segregating into sodium ion-sulfate cotransporters (NaSs) and sodium ion-di- and-tricarboxylate cotransporters (NaDCs). NaS1 and NaDC1 regulate sulfate homeostasis and oxidative metabolism, respectively. NaS1 deficiency affects murine growth and fertility, while NaDC1 affects urinary citrate and calcium nephrolithiasis. Despite their importance, the mechanisms of substrate recognition and transport remain insufficiently characterized. In this study, we determined the cryo-electron microscopy structures of human NaS1, capturing inward-facing and combined inward-facing/outward-facing conformations within a dimer both in apo and sulfate-bound states. In addition, we elucidated NaDC1's outward-facing conformation, encompassing apo, citrate-bound, and -(-amylcinnamoyl) anthranilic acid (ACA) inhibitor-bound states. Structural scrutiny illuminates a detailed elevator mechanism driving conformational changes. Notably, the ACA inhibitor unexpectedly binds primarily anchored by transmembrane 2 (TM2), Loop 10, TM11, and TM6a proximate to the cytosolic membrane. Our findings provide crucial insights into SLC13 transport mechanisms, paving the way for future drug design.
History
DepositionAug 29, 2023-
Header (metadata) releaseApr 17, 2024-
Map releaseApr 17, 2024-
UpdateApr 17, 2024-
Current statusApr 17, 2024Processing site: PDBc / Status: Released

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Structure visualization

Supplemental images

emd_37329.png

Downloads & links

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Map

FileDownload / File: emd_37329.map.gz / Format: CCP4 / Size: 52.7 MB / Type: IMAGE STORED AS FLOATING POINT NUMBER (4 BYTES)
Projections & slices

Image control

Size
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Contrast
Others
AxesZ (Sec.)Y (Row.)X (Col.)
1.09 Å/pix.
x 240 pix.
= 260.88 Å		1.09 Å/pix.
x 240 pix.
= 260.88 Å		1.09 Å/pix.
x 240 pix.
= 260.88 Å

Surface

Projections

Slices (1/3)

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Slices (2/3)

Images are generated by Spider.

Voxel sizeX=Y=Z: 1.087 Å
Density

Histogram

Histogram (log scale)
Contour LevelBy AUTHOR: 0.7
Minimum - Maximum-2.4610567 - 4.755764
Average (Standard dev.)-0.00039469046 (±0.11108305)
SymmetrySpace group: 1
Details

EMDB XML:

Map geometry
Axis orderXYZ
Origin000
Dimensions240240240
Spacing240240240
CellA=B=C: 260.88 Å
α=β=γ: 90.0 °

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Supplemental data

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Half map: #1

Fileemd_37329_half_map_1.map
Projections & Slices
AxesZYX

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Slices (1/2)
Density Histograms

Histogram

Histogram (log scale)

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Half map: #2

Fileemd_37329_half_map_2.map
Projections & Slices
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Histogram

Histogram (log scale)

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Sample components

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Entire : Structure of NaS1 in complex with sulfate

EntireName: Structure of NaS1 in complex with sulfate
Components
  • Complex: Structure of NaS1 in complex with sulfate
    • Protein or peptide: Solute carrier family 13 member 1
  • Ligand: SULFATE IONSulfate
  • Ligand: SODIUM IONSodium

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Supramolecule #1: Structure of NaS1 in complex with sulfate

SupramoleculeName: Structure of NaS1 in complex with sulfate / type: complex / ID: 1 / Parent: 0 / Macromolecule list: #1
Source (natural)Organism: Homo sapiens (human)

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Macromolecule #1: Solute carrier family 13 member 1

MacromoleculeName: Solute carrier family 13 member 1 / type: protein_or_peptide / ID: 1 / Number of copies: 2 / Enantiomer: LEVO
Source (natural)Organism: Homo sapiens (human)
Molecular weightTheoretical: 67.68543 KDa
Recombinant expressionOrganism: Homo sapiens (human)
SequenceString: MADYKDDDDK SGRMKFFSYI LVYRRFLFVV FTVLVLLPLP IVLHTKEAEC AYTLFVVATF WLTEALPLSV TALLPSLMLP MFGIMPSKK VASAYFKDFH LLLIGVICLA TSIEKWNLHK RIALKMVMMV GVNPAWLTLG FMSSTAFLSM WLSNTSTAAM V MPIAEAVV ...String:
MADYKDDDDK SGRMKFFSYI LVYRRFLFVV FTVLVLLPLP IVLHTKEAEC AYTLFVVATF WLTEALPLSV TALLPSLMLP MFGIMPSKK VASAYFKDFH LLLIGVICLA TSIEKWNLHK RIALKMVMMV GVNPAWLTLG FMSSTAFLSM WLSNTSTAAM V MPIAEAVV QQIINAEAEV EATQMTYFNG STNHGLEIDE SVNGHEINER KEKTKPVPGY NNDTGKISSK VELEKNSGMR TK YRTKKGH VTRKLTCLCI AYSSTIGGLT TITGTSTNLI FAEYFNTRYP DCRCLNFGSW FTFSFPAALI ILLLSWIWLQ WLF LGFNFK EMFKCGKTKT VQQKACAEVI KQEYQKLGPI RYQEIVTLVL FIIMALLWFS RDPGFVPGWS ALFSEYPGFA TDST VALLI GLLFFLIPAK TLTKTTPTGE IVAFDYSPLI TWKEFQSFMP WDIAILVGGG FALADGCEES GLSKWIGNKL SPLGS LPAW LIILISSLMV TSLTEVASNP ATITLFLPIL SPLAEAIHVN PLYILIPSTL CTSFAFLLPV ANPPNAIVFS YGHLKV IDM VKAGLGVNIV GVAVVMLGIC TWIVPMFDLY TYPSWAPAMS NETMP

UniProtKB: Solute carrier family 13 member 1

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Macromolecule #2: SULFATE ION

MacromoleculeName: SULFATE ION / type: ligand / ID: 2 / Number of copies: 2 / Formula: SO4
Molecular weightTheoretical: 96.063 Da
Chemical component information

ChemComp-SO4:
SULFATE ION / Sulfate

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Macromolecule #3: SODIUM ION

MacromoleculeName: SODIUM ION / type: ligand / ID: 3 / Number of copies: 1
Molecular weightTheoretical: 22.99 Da

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Experimental details

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Structure determination

Methodcryo EM
Processingsingle particle reconstruction
Aggregation stateparticle

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Sample preparation

BufferpH: 8
VitrificationCryogen name: ETHANE

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Electron microscopy

MicroscopeFEI TITAN KRIOS
Electron beamAcceleration voltage: 300 kV / Electron source: FIELD EMISSION GUN
Electron opticsIllumination mode: SPOT SCAN / Imaging mode: BRIGHT FIELDBright-field microscopy / Nominal defocus max: 2.0 µm / Nominal defocus min: 1.0 µm
Image recordingFilm or detector model: GATAN K3 BIOQUANTUM (6k x 4k) / Average electron dose: 50.0 e/Å2
Experimental equipment
Model: Titan Krios / Image courtesy: FEI Company

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Image processing

Startup modelType of model: NONE
Initial angle assignmentType: ANGULAR RECONSTITUTION
Final angle assignmentType: MAXIMUM LIKELIHOOD
Final reconstructionResolution.type: BY AUTHOR / Resolution: 3.2 Å / Resolution method: FSC 0.143 CUT-OFF / Number images used: 151181

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