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 30745

Title: NMR Structure of HSP1-NH2 antimicrobial peptide in presence of DPC-d38 micelles   PubMed: 32828849

Deposition date: 2020-04-27 Original release date: 2020-08-31

Authors: Verly, R.; Gomes, I.

Citation: Gomes, I.; Santos, T.; Souza, A.; Nunes, L.; Cardoso, G.; Matos, C.; Costa, L.; Liao, L.; Resende, J.; Verly, R.. "Membrane interactions of the anuran antimicrobial peptide HSP1-NH 2: Different aspects of the association to anionic and zwitterionic biomimetic systems"  Biochim. Biophys. Acta Biomembr. ., .-. (2020).

Assembly members:
entity_1, polymer, 15 residues, 1311.594 Da.

Natural source:   Common Name: polka-dot treefrog   Taxonomy ID: 2499473   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Boana punctata

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):
entity_1: GILDAIKAIAKAAGX

Data sets:
Data typeCount
13C chemical shifts39
15N chemical shifts13
1H chemical shifts80

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1unit_11

Entities:

Entity 1, unit_1 15 residues - 1311.594 Da.

1   GLYILELEUASPALAILELYSALAILEALA
2   LYSALAALAGLYNH2

Samples:

sample_1: HSP1-NH2 1.0 mM

sample_conditions_1: pH: 6.5; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D NOESYsample_1isotropicsample_conditions_1
2D TOCSYsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1

Software:

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

NMRView, Johnson, One Moon Scientific - chemical shift assignment

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

QUEEN, Nabuurs, Spronk, Krieger, Maassen, Vriend and Vuister - data analysis

NMR spectrometers:

  • Bruker AVANCE III 500 MHz

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts