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 36047

Title: Solution NMR structure of peptide toxin SsTx from Scolopendra subspinipes mutilans

Deposition date: 2017-01-23 Original release date: 2018-01-22

Authors: Wu, F.; Luo, L.; Qu, D.; Zhang, L.; Tian, C.; Lai, R.

Citation: Wu, F.; Luo, L.; Qu, D.; Zhang, L.; Tian, C.; Lai, R.. "Solution NMR structure of peptide toxin SsTx from Scolopendra subspinipes mutilans"  . ., .-..

Assembly members:
SsTx, polymer, 53 residues, 6032.960 Da.

Natural source:   Common Name: Scolopendra mutilans   Taxonomy ID: 251420   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Scolopendra mutilans

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):
SsTx: EVIKKDTPYKKRKFPYKSEC LKACATSFTGGDESRIQEGK PGFFKCTCYFTTG

Data sets:
Data typeCount
1H chemical shifts296

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11

Entities:

Entity 1, entity_1 53 residues - 6032.960 Da.

1   GLUVALILELYSLYSASPTHRPROTYRLYS
2   LYSARGLYSPHEPROTYRLYSSERGLUCYS
3   LEULYSALACYSALATHRSERPHETHRGLY
4   GLYASPGLUSERARGILEGLNGLUGLYLYS
5   PROGLYPHEPHELYSCYSTHRCYSTYRPHE
6   THRTHRGLY

Samples:

sample_1: SsTx 5 mM; sodium chloride 50 ± 2 mM; sodium phosphate 50 ± 2 mM; H2O 90%; D2O, [U-2H], 10%

sample_conditions_1: ionic strength: 0.35 M; pH: 7.4; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D DQF-COSYsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1

Software:

SPARKY, Goddard - chemical shift assignment

VNMR, Varian - collection

X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - structure calculation

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

NMR spectrometers:

  • Varian INOVA 700 MHz