BMRB Entry 30834

Name: NMR solution structure of Nav1.5 DIV S3b-S4a paddle motif in DPC micelle
Published: 2021-05-28

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PDB ID: 7l83
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR30834
MolProbity Validation Chart

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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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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:

assigned_chemical_shifts
- assigned_chemical_shifts_1
heteronucl_NOEs
- heteronuclear_noe_list_1
heteronucl_T1_relaxation
- heteronuclear_T1_list_1
heteronucl_T2_relaxation
- heteronuclear_T2_list_1
spectral_peak_list
- spectral_peak_list_1
- spectral_peak_list_2

Data type	Count
13C chemical shifts	71
15N chemical shifts	30
1H chemical shifts	248
T1 relaxation values	33
T2 relaxation values	33
heteronuclear NOE values	33

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	unit_1	1

Entities:

Entity 1, unit_1 37 residues - 4209.139 Da.

1

VAL

ILE

LEU

SER

ILE

VAL

GLY

THR

2

VAL

LEU

SER

ASP

ILE

GLN

LYS

TYR

PHE

3

PHE

SER

PRO

THR

LEU

PHE

ARG

VAL

ILE

ARG

4

LEU

ALA

ARG

ILE

GLY

ARG

ILE

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:

Name	Sample	Sample state	Sample conditions
3D 1H-13C NOESY aliphatic	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_2	isotropic	sample_conditions_2
3D 1H-15N NOESY	sample_2	isotropic	sample_conditions_2
3D HCCH-TOCSY	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_2	isotropic	sample_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 HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts