BMRB Entry 34388

Title:
The solution NMR structure of cis-dicarba-brevinin-1BYa in sodium dodecyl sulphate micelles
Deposition date:
2019-04-02
Original release date:
2019-10-18
Authors:
Timmons, P.; O'Flynn, D.; Conlon, J.; Hewage, C.
Citation:

Citation: Timmons, P.; O'Flynn, D.; Conlon, J.; Hewage, C.. "Insights into conformation and membrane interactions of the acyclic and dicarba-bridged brevinin-1BYa antimicrobial peptides."  Eur. Biophys. J. 48, 701-710 (2019).
PubMed: 31515575

Assembly members:

Assembly members:
entity_1, polymer, 24 residues, 2577.240 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: FLPILASLAAKFGPKLFXLV TKKX

Data sets:
Data typeCount
1H chemical shifts166

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 - 2577.240 Da.

1   PHELEUPROILELEUALASERLEUALAALA
2   LYSPHEGLYPROLYSLEUPHEABALEUVAL
3   THRLYSLYSABA

Samples:

sample_1: dicarba-brevinin-1BYa 1.5 mM; sodium dodecyl sulfphate 230 mM

sample_conditions_1: ionic strength: 0 Not defined; pH: 7.0; pressure: 1 atm; temperature: 298 K

Experiments:

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

Software:

NAMD, UNIVERSITY OF ILLINOIS AT URBANA-CHAMPAIGN - refinement

CYANA, Guntert, Mumenthaler and Wuthrich - structure calculation

NMRFAM-SPARKY, NMRFAM - chemical shift assignment, peak picking

NMR spectrometers:

  • Bruker DRX 500 MHz