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 34078

Title: NMR spatial structure of alpha-mammal toxin BeM9   PubMed: 30007037

Deposition date: 2016-12-14 Original release date: 2018-01-12

Authors: Mineev, K.; Kuldushev, N.; Berkut, A.; Grishin, E.; Vassilevski, A.; Arseniev, A.

Citation: Kuldyushev, Nikita; Mineev, Konstantin; Berkut, Antonina; Peigneur, Steve; Arseniev, Alexander; Tytgat, Jan; Grishin, Eugene; Vassilevski, Alexander. "Refined structure of BeM9 reveals arginine hand, an overlooked structural motif in scorpion toxins affecting sodium channels"  Proteins 86, 1117-1122 (2018).

Assembly members:
entity_1, polymer, 66 residues, 7351.345 Da.

Natural source:   Common Name: Lesser Asian scorpion   Taxonomy ID: 34648   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Mesobuthus eupeus

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

Entity Sequences (FASTA):
entity_1: ARDAYIAKPHNCVYECYNPK GSYCNDLCTENGAESGYCQI LGKYGNACWCIQLPDNVPIR IPGKCH

Data sets:
Data typeCount
13C chemical shifts151
15N chemical shifts71
1H chemical shifts439

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1entity_11

Entities:

Entity 1, entity_1 66 residues - 7351.345 Da.

1   ALAARGASPALATYRILEALALYSPROHIS
2   ASNCYSVALTYRGLUCYSTYRASNPROLYS
3   GLYSERTYRCYSASNASPLEUCYSTHRGLU
4   ASNGLYALAGLUSERGLYTYRCYSGLNILE
5   LEUGLYLYSTYRGLYASNALACYSTRPCYS
6   ILEGLNLEUPROASPASNVALPROILEARG
7   ILEPROGLYLYSCYSHIS

Samples:

sample_1: Alpha-mammal toxin BeM9, [U-99% 15N], 1 mM

sample_conditions_1: ionic strength: 10 mM; pH: 3.5; pressure: 1 Pa; temperature: 303 K

Experiments:

NameSampleSample stateSample conditions
NOESYsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D DQF-COSYsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-15N TOCSYsample_1isotropicsample_conditions_1
3D HNHBsample_1isotropicsample_conditions_1
3D HNHAsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aliphaticsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1

Software:

CYANA v3.97, Guntert, Mumenthaler and Wuthrich - structure calculation

CARA v1.9.4, Keller and Wuthrich - chemical shift calculation

TOPSPIN, Bruker Biospin - collection

NMR spectrometers:

  • Bruker Avance 700 MHz

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