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 34268

Title: NMR structure of the scorpion toxin AmmTx3   PubMed: 30529150

Deposition date: 2018-05-04 Original release date: 2019-01-25

Authors: Landon, C.; Meudal, H.

Citation: Zoukimian, C.; Meudal, H.; De Waard, S.; Ouares, K.; Nicolas, S.; Canepari, M.; Beroud, R.; Landon, C.; De Waard, M.; Boturyn, D.. "Synthesis by native chemical ligation and characterization of the scorpion toxin AmmTx3."  Bioorg. Med. Chem. 27, 247-253 (2019).

Assembly members:
entity_1, polymer, 37 residues, 3834.563 Da.

Natural source:   Common Name: Scorpion   Taxonomy ID: 6860   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Androctonus mauritanicus

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):
entity_1: XIETNKKCQGGSCASVCRKV IGVAAGKCINGRCVCYP

Data sets:
Data typeCount
15N chemical shifts34
1H chemical shifts241

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 37 residues - 3834.563 Da.

1   PCAILEGLUTHRASNLYSLYSCYSGLNGLY
2   GLYSERCYSALASERVALCYSARGLYSVAL
3   ILEGLYVALALAALAGLYLYSCYSILEASN
4   GLYARGCYSVALCYSTYRPRO

Samples:

sample_1: AmmTx3 1.2 mM

sample_conditions_1: ionic strength: 0 mM; pH: 4.5; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
15N Sofast HMQCsample_1isotropicsample_conditions_1

Software:

TOPSPIN, Bruker Biospin - collection, processing

CcpNMR, CCPN - chemical shift assignment

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

NMR spectrometers:

  • Bruker AvanceIII 700 MHz

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