BMRB Entry 34250

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR34250
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Title:
The solution NMR structure of brevinin-1BYa in 33% trifluoroethanol
Deposition date:
2018-03-27
Original release date:
2019-07-03
Authors:
Timmons, P.; O'Flynn, D.; Conlon, J.; Hewage, C.
Citation:

Citation: Timmons, P.; O'Flynn, D.; Conlon, J.; Hewage, C.. "Structural and positional studies of the antimicrobial peptide brevinin-1BYa in membrane-mimetic environments"  J. Pept. Sci. 25, e3208-e3208 (2019).
PubMed: 31721374

Assembly members:

Assembly members:
entity_1, polymer, 24 residues, 2613.315 Da.

Natural source:

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

Experimental source:

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: FLPILASLAAKFGPKLFCLV TKKC

Data sets:
Data typeCount
1H chemical shifts190

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 24 residues - 2613.315 Da.

1   PHELEUPROILELEUALASERLEUALAALA
2   LYSPHEGLYPROLYSLEUPHECYSLEUVAL
3   THRLYSLYSCYS

Samples:

sample_1: Brevinin-1BYa 1.5 mM

sample_conditions_1: pH: 7; pressure: 10000 Pa; temperature: 298 K

Experiments:

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

Software:

NMRFAM-Sparky, National Magnetic Resonance Facility at Madison - peak picking

CYANA, Guntert P. - structure calculation

NMR spectrometers:

  • Bruker DRX 500 MHz