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 34253

Title: The solution NMR structure of [C18S,C24S]brevinin-1BYa in 33% trifluoroethanol

Deposition date: 2018-03-28 Original release date: 2019-10-10

Authors: Timmons, P.; O'Flynn, D.; Conlon, J.; Hewage, C.

Citation: Timmons, P.; O'Flynn, D.; Conlon, J.; Hewage, C.. "Structural studies of the antimicrobial peptide Brevinin-1BYa and its analogue [C18S,C24S]Brevinin-1BYa"  . ., .-..

Assembly members:
entity_1, polymer, 24 residues, 2581.185 Da.

Natural source:   Common Name: Foothill yellow-legged frog   Taxonomy ID: 160499   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Rana boylii

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):
entity_1: FLPILASLAAKFGPKLFSLV TKKS

Data sets:
Data typeCount
1H chemical shifts172

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11

Entities:

Entity 1, entity_1 24 residues - 2581.185 Da.

1   PHELEUPROILELEUALASERLEUALAALA
2   LYSPHEGLYPROLYSLEUPHESERLEUVAL
3   THRLYSLYSSER

Samples:

sample_1: [C18S,C24S]brevinin-1BYa 1.5 mM

sample_conditions_1: pH: 7; pressure: 100000 Pa; temperature: 298 K

Experiments:

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

Software:

CYANA, Guntert P. - structure calculation

NMRFAM-Sparky, NATIONAL MAGNETIC RESONANCE FACILITY AT MADISON - peak picking

NMR spectrometers:

  • Bruker DRX 500 MHz