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- EMDB-0701: human KCC1 structure determined in KCl and detergent GDN -

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Basic information

Entry
Database: EMDB / ID: EMD-0701
Titlehuman KCC1 structure determined in KCl and detergent GDN
Map dataEM map of KCC1 in KCl and detergent GDN
Sample
  • Complex: potassium chloride co-transporter 1
    • Protein or peptide: Solute carrier family 12 member 4
  • Ligand: CHLORIDE ION
  • Ligand: POTASSIUM ION
  • Ligand: 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol
Function / homology
Function and homology information


potassium:chloride symporter activity / Cation-coupled Chloride cotransporters / chloride ion homeostasis / potassium ion homeostasis / cell volume homeostasis / potassium ion import across plasma membrane / monoatomic ion transport / chloride transmembrane transport / potassium ion transmembrane transport / chemical synaptic transmission ...potassium:chloride symporter activity / Cation-coupled Chloride cotransporters / chloride ion homeostasis / potassium ion homeostasis / cell volume homeostasis / potassium ion import across plasma membrane / monoatomic ion transport / chloride transmembrane transport / potassium ion transmembrane transport / chemical synaptic transmission / lysosomal membrane / synapse / protein kinase binding / ATP binding / membrane / plasma membrane
Similarity search - Function
K/Cl co-transporter 1 / K/Cl co-transporter / SLC12A transporter, C-terminal / Solute carrier family 12 / Amino acid permease/ SLC12A domain / SLC12A transporter family / Amino acid permease
Similarity search - Domain/homology
Solute carrier family 12 member 4
Similarity search - Component
Biological speciesHomo sapiens (human)
Methodsingle particle reconstruction / cryo EM / Resolution: 2.9 Å
AuthorsLiu S / Chang S / Ye S / Bai X / Guo J
Funding support China, 5 items
OrganizationGrant numberCountry
Ministry of Science and Technology (China)2018YFA0508100 China
National Natural Science Foundation of China31870724 China
Ministry of Science and Technology (China)2016YFA0500404 China
National Natural Science Foundation of China31430019 China
National Natural Science Foundation of China31525001 China
CitationJournal: Science / Year: 2019
Title: Cryo-EM structures of the human cation-chloride cotransporter KCC1.
Authors: Si Liu / Shenghai Chang / Binming Han / Lingyi Xu / Mingfeng Zhang / Cheng Zhao / Wei Yang / Feng Wang / Jingyuan Li / Eric Delpire / Sheng Ye / Xiao-Chen Bai / Jiangtao Guo /
Abstract: Cation-chloride cotransporters (CCCs) mediate the coupled, electroneutral symport of cations with chloride across the plasma membrane and are vital for cell volume regulation, salt reabsorption in ...Cation-chloride cotransporters (CCCs) mediate the coupled, electroneutral symport of cations with chloride across the plasma membrane and are vital for cell volume regulation, salt reabsorption in the kidney, and γ-aminobutyric acid (GABA)-mediated modulation in neurons. Here we present cryo-electron microscopy (cryo-EM) structures of human potassium-chloride cotransporter KCC1 in potassium chloride or sodium chloride at 2.9- to 3.5-angstrom resolution. KCC1 exists as a dimer, with both extracellular and transmembrane domains involved in dimerization. The structural and functional analyses, along with computational studies, reveal one potassium site and two chloride sites in KCC1, which are all required for the ion transport activity. KCC1 adopts an inward-facing conformation, with the extracellular gate occluded. The KCC1 structures allow us to model a potential ion transport mechanism in KCCs and provide a blueprint for drug design.
History
DepositionJul 27, 2019-
Header (metadata) releaseOct 23, 2019-
Map releaseOct 23, 2019-
UpdateDec 9, 2020-
Current statusDec 9, 2020Processing site: PDBj / Status: Released

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Structure visualization

Movie
  • Surface view with section colored by density value
  • Surface level: 0.03
  • Imaged by UCSF Chimera
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  • Surface view colored by cylindrical radius
  • Surface level: 0.03
  • Imaged by UCSF Chimera
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  • Surface view with fitted model
  • Atomic models: PDB-6kkr
  • Surface level: 0.03
  • Imaged by UCSF Chimera
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Movie viewer
Structure viewerEM map:
SurfViewMolmilJmol/JSmol
Supplemental images

emd_0701.png

Downloads & links

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Map

FileDownload / File: emd_0701.map.gz / Format: CCP4 / Size: 35.3 MB / Type: IMAGE STORED AS FLOATING POINT NUMBER (4 BYTES)
AnnotationEM map of KCC1 in KCl and detergent GDN
Projections & slices

Image control

Size
Brightness
Contrast
Others
AxesZ (Sec.)Y (Row.)X (Col.)
1.07 Å/pix.
x 210 pix.
= 224.7 Å		1.07 Å/pix.
x 210 pix.
= 224.7 Å		1.07 Å/pix.
x 210 pix.
= 224.7 Å

Surface

Projections

Slices (1/3)

Slices (1/2)

Slices (2/3)

Images are generated by Spider.

Voxel sizeX=Y=Z: 1.07 Å
Density

Histogram

Histogram (log scale)
Contour LevelBy AUTHOR: 0.02 / Movie #1: 0.03
Minimum - Maximum-0.098366186 - 0.16658069
Average (Standard dev.)-0.00001718499 (±0.0062890733)
SymmetrySpace group: 1
Details

EMDB XML:

Map geometry
Axis orderXYZ
Origin000
Dimensions210210210
Spacing210210210
CellA=B=C: 224.70001 Å
α=β=γ: 90.0 °

CCP4 map header:

modeImage stored as Reals
Å/pix. X/Y/Z1.071.071.07
M x/y/z210210210
origin x/y/z0.0000.0000.000
length x/y/z224.700224.700224.700
α/β/γ90.00090.00090.000
start NX/NY/NZ-31-35-52
NX/NY/NZ11798209
MAP C/R/S123
start NC/NR/NS000
NC/NR/NS210210210
D min/max/mean-0.0980.167-0.000

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Supplemental data

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Sample components

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Entire : potassium chloride co-transporter 1

EntireName: potassium chloride co-transporter 1
Components
  • Complex: potassium chloride co-transporter 1
    • Protein or peptide: Solute carrier family 12 member 4
  • Ligand: CHLORIDE ION
  • Ligand: POTASSIUM ION
  • Ligand: 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol

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Supramolecule #1: potassium chloride co-transporter 1

SupramoleculeName: potassium chloride co-transporter 1 / type: complex / ID: 1 / Parent: 0 / Macromolecule list: #1
Source (natural)Organism: Homo sapiens (human)
Recombinant expressionOrganism: Homo sapiens (human)

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Macromolecule #1: Solute carrier family 12 member 4

MacromoleculeName: Solute carrier family 12 member 4 / type: protein_or_peptide / ID: 1 / Number of copies: 2 / Enantiomer: LEVO
Source (natural)Organism: Homo sapiens (human)
Molecular weightTheoretical: 122.054875 KDa
Recombinant expressionOrganism: Homo sapiens (human)
SequenceString: MPHFTVVPVD GPRRGDYDNL EGLSWVDYGE RAELDDSDGH GNHRESSPFL SPLEASRGID YYDRNLALFE EELDIRPKVS SLLGKLVSY TNLTQGAKEH EEAESGEGTR RRAAEAPSMG TLMGVYLPCL QNIFGVILFL RLTWMVGTAG VLQALLIVLI C CCCTLLTA ...String:
MPHFTVVPVD GPRRGDYDNL EGLSWVDYGE RAELDDSDGH GNHRESSPFL SPLEASRGID YYDRNLALFE EELDIRPKVS SLLGKLVSY TNLTQGAKEH EEAESGEGTR RRAAEAPSMG TLMGVYLPCL QNIFGVILFL RLTWMVGTAG VLQALLIVLI C CCCTLLTA ISMSAIATNG VVPAGGSYFM ISRSLGPEFG GAVGLCFYLG TTFAAAMYIL GAIEILLTYI APPAAIFYPS GA HDTSNAT LNNMRVYGTI FLTFMTLVVF VGVKYVNKFA SLFLACVIIS ILSIYAGGIK SIFDPPVFPV CMLGNRTLSR DQF DICAKT AVVDNETVAT QLWSFFCHSP NLTTDSCDPY FMLNNVTEIP GIPGAAAGVL QENLWSAYLE KGDIVEKHGL PSAD APSLK ESLPLYVVAD IATSFTVLVG IFFPSVTGIM AGSNRSGDLR DAQKSIPVGT ILAIITTSLV YFSSVVLFGA CIEGV VLRD KYGDGVSRNL VVGTLAWPSP WVIVIGSFFS TCGAGLQSLT GAPRLLQAIA KDNIIPFLRV FGHGKVNGEP TWALLL TAL IAELGILIAS LDMVAPILSM FFLMCYLFVN LACAVQTLLR TPNWRPRFKY YHWALSFLGM SLCLALMFVS SWYYALV AM LIAGMIYKYI EYQGAEKEWG DGIRGLSLSA ARYALLRLEE GPPHTKNWRP QLLVLLKLDE DLHVKYPRLL TFASQLKA G KGLTIVGSVI QGSFLESYGE AQAAEQTIKN MMEIEKVKGF CQVVVASKVR EGLAHLIQSC GLGGMRHNSV VLGWPYGWR QSEDPRAWKT FIDTVRCTTA AHLALLVPKN IAFYPSNHER YLEGHIDVWW IVHDGGMLML LPFLLRQHKV WRKCRMRIFT VAQMDDNSI QMKKDLAVFL YHLRLEAEVE VVEMHNSDIS AYTYERTLMM EQRSQMLRQM RLTKTERERE AQLVKDRHSA L RLESLYSD EEDESAVGAD KIQMTWTRDK YMTETWDPSH APDNFRELVH IKPDQSNVRR MHTAVKLNEV IVTRSHDARL VL LNMPGPP RNSEGDENYM EFLEVLTEGL ERVLLVRGGG REVITIYSLE WSHPQFEK

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Macromolecule #4: CHLORIDE ION

MacromoleculeName: CHLORIDE ION / type: ligand / ID: 4 / Number of copies: 4 / Formula: CL
Molecular weightTheoretical: 35.453 Da

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Macromolecule #5: POTASSIUM ION

MacromoleculeName: POTASSIUM ION / type: ligand / ID: 5 / Number of copies: 2 / Formula: K
Molecular weightTheoretical: 39.098 Da

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Macromolecule #6: 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13...

MacromoleculeName: 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol
type: ligand / ID: 6 / Number of copies: 2 / Formula: DU0
Molecular weightTheoretical: 516.752 Da
Chemical component information

ChemComp-DU0:
2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol

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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
Image recordingFilm or detector model: GATAN K2 SUMMIT (4k x 4k) / Average electron dose: 64.0 e/Å2
Electron beamAcceleration voltage: 300 kV / Electron source: FIELD EMISSION GUN
Electron opticsIllumination mode: FLOOD BEAM / Imaging mode: BRIGHT FIELD
Experimental equipment
Model: Titan Krios / Image courtesy: FEI Company

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Image processing

Final reconstructionResolution.type: BY AUTHOR / Resolution: 2.9 Å / Resolution method: FSC 0.143 CUT-OFF / Number images used: 60538
Initial angle assignmentType: PROJECTION MATCHING
Final angle assignmentType: PROJECTION MATCHING

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