BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 30834

Title: NMR solution structure of Nav1.5 DIV S3b-S4a paddle motif in DPC micelle

Deposition date: 2020-12-30 Original release date: 2021-05-28

Authors: Hussein, A.; Bhuiyan, M.; Arshava, B.; Zhuang, J.; Poget, S.

Citation: Hussein, A.; Bhuiyan, M.; Arshava, B.; Zhuang, J.; Poget, S.. "NMR solution structure of the S3b-S4a paddle motif from repeat IV of the human cardiac sodium channel"  .

Assembly members:
entity_1, polymer, 37 residues, 4209.139 Da.

Natural source:   Common Name: Human   Taxonomy ID: 9606   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Homo sapiens

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli

Entity Sequences (FASTA):
entity_1: VVVILSIVGTVLSDIIQKYF FSPTLFRVIRLARIGRI

Data sets:
Data typeCount
13C chemical shifts71
15N chemical shifts30
1H chemical shifts248
T1 relaxation values33
T2 relaxation values33
heteronuclear NOE values33

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1unit_11

Entities:

Entity 1, unit_1 37 residues - 4209.139 Da.

1   VALVALVALILELEUSERILEVALGLYTHR
2   VALLEUSERASPILEILEGLNLYSTYRPHE
3   PHESERPROTHRLEUPHEARGVALILEARG
4   LEUALAARGILEGLYARGILE

Samples:

sample_1: Nav1.5 DIV S3bS4a motif, [U-13C; U-15N], 1 ± 0.1 mM; Nacl 10 mM; potassium phosphate 10 mM

sample_2: Nav1.5 DIV S3bS4a motif, [U-13C; U-15N], 0.5 ± 0.1 mM; Nacl 10 mM; potassium phosphate 10 mM

sample_conditions_1: ionic strength: 20 mM; pH: 7; pressure: 1 atm; temperature: 310 K

sample_conditions_2: ionic strength: 20 mM; pH: 7; pressure: 1 atm; temperature: 310 K

Experiments:

NameSampleSample stateSample conditions
3D 1H-13C NOESY aliphaticsample_1isotropicsample_conditions_1
3D HNCACBsample_2isotropicsample_conditions_2
3D 1H-15N NOESYsample_2isotropicsample_conditions_2
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D HNCAsample_2isotropicsample_conditions_2

Software:

CNS, Brunger A. T. et.al. - refinement

ARIA, Linge, O'Donoghue and Nilges - structure calculation

CcpNmr Analysis, CCPN - chemical shift assignment

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

TopSpin, Bruker Biospin - processing

NMR spectrometers:

  • Bruker AVANCE 800 MHz
  • Bruker AVANCE 900 MHz

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts