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- EMDB-66226: structure of hOCTN1-Ergothioneine complex -

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ID or keywords:

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Basic information

Entry
Database: EMDB / ID: EMD-66226
Titlestructure of hOCTN1-Ergothioneine complex
Map data
Sample
  • Complex: hOCTN1-Ergothioneine
    • Protein or peptide: Solute carrier family 22 member 4
  • Ligand: trimethyl-[(2S)-1-oxidanyl-1-oxidanylidene-3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)propan-2-yl]azanium
Keywordstransporter / drug target / MEMBRANE PROTEIN
Function / homology
Function and homology information


sulfur amino acid transport / carnitine transport / carnitine transmembrane transporter activity / acetylcholine uptake / quaternary ammonium group transmembrane transporter activity / amino-acid betaine transmembrane transporter activity / quaternary ammonium group transport / acetylcholine transmembrane transporter activity / Choline catabolism / amine transport ...sulfur amino acid transport / carnitine transport / carnitine transmembrane transporter activity / acetylcholine uptake / quaternary ammonium group transmembrane transporter activity / amino-acid betaine transmembrane transporter activity / quaternary ammonium group transport / acetylcholine transmembrane transporter activity / Choline catabolism / amine transport / SLC-mediated transport of organic cations / secondary active transmembrane transporter activity / sodium-independent organic anion transport / response to vitamin D / response to exogenous dsRNA / amino acid transmembrane transporter activity / xenobiotic transport / lactation / liver regeneration / amino acid import across plasma membrane / basal plasma membrane / PDZ domain binding / mitochondrial membrane / response to lipopolysaccharide / apical plasma membrane / neuronal cell body / mitochondrion / ATP binding / plasma membrane
Similarity search - Function
Solute carrier family 22 members 4/5 / Organic cation transport protein/SVOP / Sugar transport proteins signature 1. / Sugar transporter, conserved site / Major facilitator, sugar transporter-like / Sugar (and other) transporter / Major facilitator superfamily domain / Major facilitator superfamily (MFS) profile. / MFS transporter superfamily
Similarity search - Domain/homology
Solute carrier family 22 member 4
Similarity search - Component
Biological speciesHomo sapiens (human)
Methodsingle particle reconstruction / cryo EM / Resolution: 3.37 Å
AuthorsXu B / Wang Y
Funding support China, 1 items
OrganizationGrant numberCountry
Ministry of Science and Technology (MoST, China)2024YFA0916800 China
CitationJournal: Nat Commun / Year: 2026
Title: Structural and mechanistic insights into OCTN1-mediated transport and cancer cell proliferation
Authors: Xu B / Liang S / Wang Z / Zhou X / Wang L / Liang Q / Liu X / Guo W / Shi S / Zhu C / Ye S / Lou Z / Wang Y
History
DepositionSep 17, 2025-
Header (metadata) releaseSep 23, 2026-
Map releaseSep 23, 2026-
UpdateSep 23, 2026-
Current statusSep 23, 2026Processing site: PDBc / Status: Released

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Structure visualization

Supplemental images

emd_66226.png

Downloads & links

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Map

FileDownload / File: emd_66226.map.gz / Format: CCP4 / Size: 125 MB / Type: IMAGE STORED AS FLOATING POINT NUMBER (4 BYTES)
Projections & slices

Image control

Size
Brightness
Contrast
Others
AxesZ (Sec.)Y (Row.)X (Col.)
0.83 Å/pix.
x 320 pix.
= 265.6 Å		0.83 Å/pix.
x 320 pix.
= 265.6 Å		0.83 Å/pix.
x 320 pix.
= 265.6 Å

Surface

Projections

Slices (1/3)

Slices (1/2)

Slices (2/3)

Images are generated by Spider.

Voxel sizeX=Y=Z: 0.83 Å
Density

Histogram

Histogram (log scale)
Contour LevelBy AUTHOR: 0.105
Minimum - Maximum-0.7262963 - 1.1109599
Average (Standard dev.)0.0003394417 (±0.018110009)
SymmetrySpace group: 1
Details

EMDB XML:

Map geometry
Axis orderXYZ
Origin000
Dimensions320320320
Spacing320320320
CellA=B=C: 265.6 Å
α=β=γ: 90.0 °

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Supplemental data

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Half map: #1

Fileemd_66226_half_map_1.map
Projections & Slices
AxesZYX

Projections

Slices (1/2)
Density Histograms

Histogram

Histogram (log scale)

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Half map: #2

Fileemd_66226_half_map_2.map
Projections & Slices
AxesZYX

Projections

Slices (1/2)
Density Histograms

Histogram

Histogram (log scale)

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Sample components

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Entire : hOCTN1-Ergothioneine

EntireName: hOCTN1-Ergothioneine
Components
  • Complex: hOCTN1-Ergothioneine
    • Protein or peptide: Solute carrier family 22 member 4
  • Ligand: trimethyl-[(2S)-1-oxidanyl-1-oxidanylidene-3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)propan-2-yl]azanium

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Supramolecule #1: hOCTN1-Ergothioneine

SupramoleculeName: hOCTN1-Ergothioneine / type: complex / ID: 1 / Parent: 0 / Macromolecule list: #1
Source (natural)Organism: Homo sapiens (human)

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Macromolecule #1: Solute carrier family 22 member 4

MacromoleculeName: Solute carrier family 22 member 4 / type: protein_or_peptide / ID: 1 / Number of copies: 1 / Enantiomer: LEVO
Source (natural)Organism: Homo sapiens (human)
Molecular weightTheoretical: 62.200719 KDa
Recombinant expressionOrganism: Homo sapiens (human)
SequenceString: MRDYDEVIAF LGEWGPFQRL IFFLLSASII PNGFNGMSVV FLAGTPEHRC RVPDAANLSS AWRNNSVPLR LRDGREVPHS CSRYRLATI ANFSALGLEP GRDVDLGQLE QESCLDGWEF SQDVYLSTVV TEWNLVCEDN WKVPLTTSLF FVGVLLGSFV S GQLSDRFG ...String:
MRDYDEVIAF LGEWGPFQRL IFFLLSASII PNGFNGMSVV FLAGTPEHRC RVPDAANLSS AWRNNSVPLR LRDGREVPHS CSRYRLATI ANFSALGLEP GRDVDLGQLE QESCLDGWEF SQDVYLSTVV TEWNLVCEDN WKVPLTTSLF FVGVLLGSFV S GQLSDRFG RKNVLFATMA VQTGFSFLQI FSISWEMFTV LFVIVGMGQI SNYVVAFILG TEILGKSVRI IFSTLGVCTF FA VGYMLLP LFAYFIRDWR MLLLALTVPG VLCVPLWWFI PESPRWLISQ RRFREAEDII QKAAKMNNIA VPAVIFDSVE ELN PLKQQK AFILDLFRTR NIAIMTIMSL LLWMLTSVGY FALSLDAPNL HGDAYLNCFL SALIEIPAYI TAWLLLRTLP RRYI IAAVL FWGGGVLLFI QLVPVDYYFL SIGLVMLGKF GITSAFSMLY VFTAELYPTL VRNMAVGVTS TASRVGSIIA PYFVY LGAY NRMLPYIVMG SLTVLIGILT LFFPESLGMT LPETLEQMQK VKWFRSGKKT RDSMETEENP KVLITAF

UniProtKB: Solute carrier family 22 member 4

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Macromolecule #2: trimethyl-[(2S)-1-oxidanyl-1-oxidanylidene-3-(2-sulfanylidene-1,3...

MacromoleculeName: trimethyl-[(2S)-1-oxidanyl-1-oxidanylidene-3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)propan-2-yl]azanium
type: ligand / ID: 2 / Number of copies: 1 / Formula: LW8
Molecular weightTheoretical: 230.307 Da
Chemical component information

ChemComp-LW8:
trimethyl-[(2S)-1-oxidanyl-1-oxidanylidene-3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)propan-2-yl]azanium

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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 TALOS ARCTICA
Image recordingFilm or detector model: GATAN K3 (6k x 4k) / Average electron dose: 50.0 e/Å2
Electron beamAcceleration voltage: 300 kV / Electron source: FIELD EMISSION GUN
Electron opticsIllumination mode: FLOOD BEAM / Imaging mode: BRIGHT FIELD / Nominal defocus max: 2.0 µm / Nominal defocus min: 1.0 µm
Experimental equipment
Model: Talos Arctica / Image courtesy: FEI Company

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Image processing

CTF correctionType: PHASE FLIPPING AND AMPLITUDE CORRECTION
Startup modelType of model: NONE
Final reconstructionResolution.type: BY AUTHOR / Resolution: 3.37 Å / Resolution method: FSC 0.143 CUT-OFF / Software - Name: Coot / Number images used: 743252
Initial angle assignmentType: ANGULAR RECONSTITUTION
Final angle assignmentType: ANGULAR RECONSTITUTION

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