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 25122

Title: NMR SOLUTION STRUCTURE OF SCORPION VENOM TOXIN Ts11 (TsPep1) FROM Tityus serrulatus

Deposition date: 2014-08-01 Original release date: 2015-08-24

Authors: Maiti, M.; Lescrinier, E.; Herdewijn, P.; Cremonez, C.; Peigneur, S.; Cassoli, J.; Dutra, A.; Waelkens, E.; Pimenta, A.; De Lima, M.; Tytgat, J.; Arantes, E.

Citation: Cremonez, C.; Maiti, M.; Peigneur, S.; Cassoli, J.; Dutra, A.; Waelkens, E.; Lescrinier, E.; Herdewijn, P.; Pimenta, A.; De Lima, M.; Tytgat, J.; Arantes, E.. "Structural and functional elucidation of peptides Ts11 and Ts12 shows evidence for a novel subfamily of scorpion venom toxins"  Not known ., .-..

Assembly members:
TOXIN_Ts11, polymer, 29 residues, 2951.483 Da.

Natural source:   Common Name: Brazilian scorpion   Taxonomy ID: 6887   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Tityus serrulatus

Experimental source:   Production method: purified from the natural source

Entity Sequences (FASTA):
TOXIN_Ts11: KPKCGLCRYRCCSGGCSSGK CVNGACDCS

Data sets:
Data typeCount
13C chemical shifts72
1H chemical shifts166

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1TOXIN Ts111

Entities:

Entity 1, TOXIN Ts11 29 residues - 2951.483 Da.

1   LYSPROLYSCYSGLYLEUCYSARGTYRARG
2   CYSCYSSERGLYGLYCYSSERSERGLYLYS
3   CYSVALASNGLYALACYSASPCYSSER

Samples:

sample: TOXIN Ts11 1.7 mM

sample_conditions_1: pH: 3.5; pressure: 1 atm; temperature: 278 K

Experiments:

NameSampleSample stateSample conditions
2D DQF-COSYsampleisotropicsample_conditions_1
2D 1H-1H NOESYsampleisotropicsample_conditions_1
2D 1H-1H TOCSYsampleisotropicsample_conditions_1
2D 1H-13C HSQC aliphaticsampleisotropicsample_conditions_1
2D 1H-13C HSQC aromaticsampleisotropicsample_conditions_1

Software:

X-PLOR_NIH, SCHWIETERS, KUSZEWSKI, TJ - refinement

TOPSPIN v2.1, Bruker Biospin - processing

NMR spectrometers:

  • BRUKER AVANCE 600 MHz

Related Database Links:

PDB
SP P0C174