BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

BMRB Entry 25568

Title: Solution structure of VSTx1   PubMed: 27677715

Deposition date: 2015-04-12 Original release date: 2016-02-29

Authors: Lau, Carus; King, Glenn; Mobli, Mehdi

Citation: Lau, Carus; King, Glenn; Mobli, Mehdi. "Molecular basis of the interaction between gating modifier spider toxins and the voltage sensor of voltage-gated ion channels"  Sci. Rep. 6, 34333-34333 (2016).

Assembly members:
entity, polymer, 35 residues, 4096.852 Da.

Natural source:   Common Name: Spiders   Taxonomy ID: 432528   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Grammostola rosea

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

Entity Sequences (FASTA):
entity: SECGKFMWKCKNSNDCCKDL VCSSRWKWCVLASPF

Data sets:
Data typeCount
13C chemical shifts154
15N chemical shifts39
1H chemical shifts240

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1entity1

Entities:

Entity 1, entity 35 residues - 4096.852 Da.

1   SERGLUCYSGLYLYSPHEMETTRPLYSCYS
2   LYSASNSERASNASPCYSCYSLYSASPLEU
3   VALCYSSERSERARGTRPLYSTRPCYSVAL
4   LEUALASERPROPHE

Samples:

sample_1: sodium acetate 20 mM; entity, [U-99% 13C; U-99% 15N], 1.7 mM; H2O 95%; D2O 5%

sample_conditions_1: ionic strength: 0 M; pH: 5; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aliphaticsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aromaticsample_1isotropicsample_conditions_1

Software:

CYANA, Guntert, Mumenthaler and Wuthrich - structure solution

XEASY, Bartels et al. - peak picking

TALOS, Cornilescu, Delaglio and Bax - data analysis

TOPSPIN, Bruker Biospin - collection

Rowland_NMR_Toolkit v3, Jeffrey C. Hoch * Alan S. Stern - processing

NMR spectrometers:

  • 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