BMRB Entry 30259

Title:
Solution structure of arenicin-3.
Deposition date:
2017-02-28
Original release date:
2018-07-31
Authors:
Edwards, I.; Mobli, M.
Citation:

Citation: Elliott, Alysha; Huang, Johnny; Neve, Soren; Zuegg, Johannes; Edwards, Ingrid; Cain, Amy; Boinett, Christine; Barquist, Lars; Lundberg, Carina Vingsbo; Steen, Jason; Butler, Mark; Mobli, Mehdi; Porter, Kaela; Blaskovich, Mark; Lociuro, Sergio; Strandh, Magnus; Cooper, Matthew. "An amphipathic peptide with antibiotic activity against multidrug-resistant Gram-negative bacteria"  Nat. Commun. 11, 3184-3184 (2020).
PubMed: 32576824

Assembly members:

Assembly members:
entity_1, polymer, 21 residues, 2621.099 Da.

Natural source:

Natural source:   Common Name: lugworm   Taxonomy ID: 6344   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Arenicola marina

Experimental source:

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GFCWYVCVYRNGVRVCYRRC N

Data sets:
Data typeCount
13C chemical shifts50
15N chemical shifts24
1H chemical shifts148

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11

Entities:

Entity 1, entity_1 21 residues - 2621.099 Da.

1   GLYPHECYSTRPTYRVALCYSVALTYRARG
2   ASNGLYVALARGVALCYSTYRARGARGCYS
3   ASN

Samples:

sample_1: arenicin-3 3.5 mM

sample_conditions_1: pH: 3.3; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1

Software:

CYANA v3.0, Guntert P., Guntert, Mumenthaler and Wuthrich - refinement, structure calculation

CcpNMR v2.4.1, CCPN - chemical shift assignment, peak picking

NMR spectrometers:

  • Bruker AvanceIII 700 MHz

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks