BMRB Entry 30716

Title:
Stigmurin
Deposition date:
2020-01-22
Original release date:
2021-01-24
Authors:
Rodrigues, S.; Resende, J.; Araujo, R.; Pedrosa, M.
Citation:

Citation: Silva, A.; Rodrigues, S.; Santos, E.; Neto, M.; Rocha, H.; Silva-Junior, A.; Resende, J.; Araujo, R.; Pedrosa, M.. "NMR three-dimensional structure of the cationic peptide Stigmurin from Tityus stigmurus scorpion venom: In vitro antioxidant and in vivo antibacterial and healing activity"  Peptides 137, 170478-170478 (2021).
PubMed: 33359395

Assembly members:

Assembly members:
entity_1, polymer, 18 residues, 1795.173 Da.

Natural source:

Natural source:   Common Name: scorpions   Taxonomy ID: 50344   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Tityus stigmurus

Experimental source:

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: FFSLIPSLVGGLISAFKX

Data sets:
Data typeCount
13C chemical shifts32
15N chemical shifts15
1H chemical shifts18

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11

Entities:

Entity 1, entity_1 18 residues - 1795.173 Da.

1   PHEPHESERLEUILEPROSERLEUVALGLY
2   GLYLEUILESERALAPHELYSNH2

Samples:

sample_1: Stigmurin 2.0 mM; DSS 1.0 mM

sample_conditions_1: pH: 7.0; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H NOESYsample_1anisotropicsample_conditions_1
2D 1H-1H TOCSYsample_1anisotropicsample_conditions_1
2D 1H-15N HSQCsample_1anisotropicsample_conditions_1
2D 1H-13C HSQCsample_1anisotropicsample_conditions_1

Software:

NMRView, Johnson, One Moon Scientific - chemical shift assignment, data analysis, peak picking

TopSpin, Bruker Biospin - collection

PROCHECK / PROCHECK-NMR, Laskowski, MacArthur, Smith, Jones, Hutchinson, Morris, Moss and Thornton - data analysis

MOLMOL, Koradi, Billeter and Wuthrich - data analysis

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

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

TALOS, Cornilescu, Delaglio and Bax - structure calculation

NMR spectrometers:

  • Bruker AVANCE III 800 MHz