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 26062

Title: Solution structure of the toxin ISTX-I from Ixodes scapularis   PubMed: 27407029

Deposition date: 2016-06-01 Original release date: 2017-06-05

Authors: Hu, Kaifeng; Liu, Jiangxin

Citation: Rong, Mingqiang; Liu, Jiangxin; Zhang, Meilin; Wang, Gan; Zhao, Gang; Wang, Guodong; Zhang, Yaping; Hu, Kaifeng; Lai, Ren. "A sodium channel inhibitor ISTX-I with a novel structure provides a new hint at the evolutionary link between two toxin folds"  Sci. Rep. 6, 29691-29691 (2016).

Assembly members:
entity, polymer, 46 residues, 4793.292 Da.

Natural source:   Common Name: black-legged tick   Taxonomy ID: 6945   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Ixodes scapularis

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

Entity Sequences (FASTA):
entity: GLCSENGDCAADECCVDTVF EGDMVTRSCEKTTGNFTECP GLTPIA

Data sets:
Data typeCount
13C chemical shifts126
1H chemical shifts277

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1entity1

Entities:

Entity 1, entity 46 residues - 4793.292 Da.

1   GLYLEUCYSSERGLUASNGLYASPCYSALA
2   ALAASPGLUCYSCYSVALASPTHRVALPHE
3   GLUGLYASPMETVALTHRARGSERCYSGLU
4   LYSTHRTHRGLYASNPHETHRGLUCYSPRO
5   GLYLEUTHRPROILEALA

Samples:

sample_1: ISTX-I 1 mM; ISTX-I 8 mM; MES 10 mM; sodium chloride 20 mM

sample_conditions_1: ionic strength: 0.02 M; pH: 5.7; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D TOCSY-HSQCsample_1isotropicsample_conditions_1

Software:

X-PLOR_NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement, structure solution

NMR spectrometers:

  • Bruker Avance 800 MHz