BMRB Entry 30775

Title:
Solution NMR structure of neuroVAL, a derived peptide from wasp
Deposition date:
2020-07-20
Original release date:
2020-12-14
Authors:
Muller, J.; Craik, D.; Koehbach, J.
Citation:

Citation: Muller, Jessica; Lawrence, Nicole; Chan, Lai Yue; Harvey, Peta; Elliott, Alysha; Blaskovich, Mark; Goncalves, Jacqueline; Galante, Priscilla; Mortari, Marcia; Toffoli-Kadri, Monica; Koehbach, Johannes; Craik, David. "Antimicrobial and anticancer properties of synthetic peptides derived from the wasp Parachartergus fraternus"  Chembiochem 22, 1415-1423 (2021).
PubMed: 33244888

Assembly members:

Assembly members:
entity_1, polymer, 14 residues, 1535.853 Da.

Natural source:

Natural source:   Common Name: Parachartergus fraternus   Taxonomy ID: 91406   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Parachartergus fraternus

Experimental source:

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: IFWLFRGKADVALX

Data sets:
Data typeCount
13C chemical shifts41
15N chemical shifts12
1H chemical shifts87

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1unit_11

Entities:

Entity 1, unit_1 14 residues - 1535.853 Da.

1   ILEPHETRPLEUPHEARGGLYLYSALAASP
2   VALALALEUNH2

Samples:

sample_1: peptide 1.0 mM

sample_conditions_1: pH: 3.9; pressure: 1 atm; temperature: 298 K

Experiments:

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

Software:

CYANA, Guntert, Mumenthaler and Wuthrich - refinement, structure calculation

CcpNmr Analysis, CCPN - chemical shift assignment

NMR spectrometers:

  • Bruker AVANCE III HD 600 MHz

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