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- EMDB-49555: ML418 bound inwardly rectifying potassium channel Kir7.1 R162Q mutant -

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Open data


ID or keywords:

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Basic information

Entry
Database: EMDB / ID: EMD-49555
TitleML418 bound inwardly rectifying potassium channel Kir7.1 R162Q mutant
Map datainwardly rectifying potassium channel Kir7.1 R162Q mutant bound to ML418 in MNG detergent micelle
Sample
  • Complex: tetrameric assembly of identical subunits of the inwardly rectifying potassium channel Kir7.1
    • Protein or peptide: Inward rectifier potassium channel 13
  • Ligand: propan-2-yl {1-[(5-chloro-8-hydroxyquinolin-7-yl)methyl]piperidin-4-yl}carbamate
Keywordsinwardly rectifying potassium channel Kir7.1 channel blocker ML418 / MEMBRANE PROTEIN
Function / homology
Function and homology information


regulation of monoatomic ion transmembrane transport / inward rectifier potassium channel activity / potassium ion import across plasma membrane / monoatomic ion channel complex / potassium ion transport / plasma membrane
Similarity search - Function
Inward rectifier potassium channel 13 / Potassium channel, inwardly rectifying, transmembrane domain / Inward rectifier potassium channel transmembrane domain / Potassium channel, inwardly rectifying, Kir, cytoplasmic / Potassium channel, inwardly rectifying, Kir / Inward rectifier potassium channel, C-terminal / Inward rectifier potassium channel C-terminal domain / Immunoglobulin E-set
Similarity search - Domain/homology
Inward rectifier potassium channel 13
Similarity search - Component
Biological speciesHomo sapiens (human)
Methodsingle particle reconstruction / cryo EM / Resolution: 3.9 Å
AuthorsPeisley A / Su M / Cone R
Funding support United States, 1 items
OrganizationGrant numberCountry
Not funded United States
CitationJournal: To Be Published
Title: ML418 Binds in the Pore of the Inward Rectifier Kir7.1 and Inhibits the Channel In Vivo to Reduce Food Intake and Body Weight
Authors: Peisley A / Su M / Cone R
History
DepositionMar 4, 2025-
Header (metadata) releaseJan 28, 2026-
Map releaseJan 28, 2026-
UpdateJan 28, 2026-
Current statusJan 28, 2026Processing site: RCSB / Status: Released

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Structure visualization

Supplemental images

emd_49555.png

Downloads & links

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Map

FileDownload / File: emd_49555.map.gz / Format: CCP4 / Size: 64 MB / Type: IMAGE STORED AS FLOATING POINT NUMBER (4 BYTES)
Annotationinwardly rectifying potassium channel Kir7.1 R162Q mutant bound to ML418 in MNG detergent micelle
Projections & slices

Image control

Size
Brightness
Contrast
Others
AxesZ (Sec.)Y (Row.)X (Col.)
0.84 Å/pix.
x 256 pix.
= 215.04 Å		0.84 Å/pix.
x 256 pix.
= 215.04 Å		0.84 Å/pix.
x 256 pix.
= 215.04 Å

Surface

Projections

Slices (1/3)

Slices (1/2)

Slices (2/3)

Images are generated by Spider.

Voxel sizeX=Y=Z: 0.84 Å
Density

Histogram

Histogram (log scale)
Contour LevelBy AUTHOR: 0.23
Minimum - Maximum-0.8423491 - 1.2085797
Average (Standard dev.)0.0013151322 (±0.041537445)
SymmetrySpace group: 1
Details

EMDB XML:

Map geometry
Axis orderXYZ
Origin000
Dimensions256256256
Spacing256256256
CellA=B=C: 215.04 Å
α=β=γ: 90.0 °

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Supplemental data

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Half map: inwardly rectifying potassium channel Kir7.1 R162Q mutant bound...

Fileemd_49555_half_map_1.map
Annotationinwardly rectifying potassium channel Kir7.1 R162Q mutant bound to ML418 in MNG detergent micelle
Projections & Slices
AxesZYX

Projections

Slices (1/2)
Density Histograms

Histogram

Histogram (log scale)

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Half map: inwardly rectifying potassium channel Kir7.1 R162Q mutant bound...

Fileemd_49555_half_map_2.map
Annotationinwardly rectifying potassium channel Kir7.1 R162Q mutant bound to ML418 in MNG detergent micelle
Projections & Slices
AxesZYX

Projections

Slices (1/2)
Density Histograms

Histogram

Histogram (log scale)

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Sample components

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Entire : tetrameric assembly of identical subunits of the inwardly rectify...

EntireName: tetrameric assembly of identical subunits of the inwardly rectifying potassium channel Kir7.1
Components
  • Complex: tetrameric assembly of identical subunits of the inwardly rectifying potassium channel Kir7.1
    • Protein or peptide: Inward rectifier potassium channel 13
  • Ligand: propan-2-yl {1-[(5-chloro-8-hydroxyquinolin-7-yl)methyl]piperidin-4-yl}carbamate

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Supramolecule #1: tetrameric assembly of identical subunits of the inwardly rectify...

SupramoleculeName: tetrameric assembly of identical subunits of the inwardly rectifying potassium channel Kir7.1
type: complex / ID: 1 / Parent: 0 / Macromolecule list: #1
Source (natural)Organism: Homo sapiens (human)

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Macromolecule #1: Inward rectifier potassium channel 13

MacromoleculeName: Inward rectifier potassium channel 13 / type: protein_or_peptide / ID: 1 / Number of copies: 4 / Enantiomer: LEVO
Source (natural)Organism: Homo sapiens (human)
Molecular weightTheoretical: 40.540391 KDa
Recombinant expressionOrganism: Spodoptera frugiperda (fall armyworm)
SequenceString: MDSSNCKVIA PLLSQRYRRM VTKDGHSTLQ MDGAQRGLAY LRDAWGILMD MRWRWMMLVF SASFVVHWLV FAVLWYVLAE MNGDLELDH DAPPENHTIC VKYITSFTAA FSFSLETQLT IGYGTMFPSG DCPSAIALLA IQMLLGLMLE AFITGAFVAK I AQPKNRAF ...String:
MDSSNCKVIA PLLSQRYRRM VTKDGHSTLQ MDGAQRGLAY LRDAWGILMD MRWRWMMLVF SASFVVHWLV FAVLWYVLAE MNGDLELDH DAPPENHTIC VKYITSFTAA FSFSLETQLT IGYGTMFPSG DCPSAIALLA IQMLLGLMLE AFITGAFVAK I AQPKNRAF SIRFTDTAVV AHMDGKPNLI FQVANTRPSP LTSVRVSAVL YQERENGKLY QTSVDFHLDG ISSDECPFFI FP LTYYHSI TPSSPLATLL QHENPSHFEL VVFLSAMQEG TGEICQRRTS YLPSEIMLHH CFASLLTRGS KGEYQIKMEN FDK TVPEFP TPLVSKSPNR TDLDIHINGQ SIDNFQISET GLTE

UniProtKB: Inward rectifier potassium channel 13

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Macromolecule #2: propan-2-yl {1-[(5-chloro-8-hydroxyquinolin-7-yl)methyl]piperidin...

MacromoleculeName: propan-2-yl {1-[(5-chloro-8-hydroxyquinolin-7-yl)methyl]piperidin-4-yl}carbamate
type: ligand / ID: 2 / Number of copies: 1 / Formula: A1BY7
Molecular weightTheoretical: 377.865 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: 7.4
VitrificationCryogen name: ETHANE

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Electron microscopy

MicroscopeTFS KRIOS
Image recordingFilm or detector model: GATAN K3 BIOQUANTUM (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: 2.5 µm / Nominal defocus min: 1.2 µm
Experimental equipment
Model: Titan Krios / Image courtesy: FEI Company

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Image processing

CTF correctionType: NONE
Startup modelType of model: NONE
Final reconstructionResolution.type: BY AUTHOR / Resolution: 3.9 Å / Resolution method: FSC 0.143 CUT-OFF / Number images used: 224547
Initial angle assignmentType: NOT APPLICABLE
Final angle assignmentType: NOT APPLICABLE

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