BMRB Entry 25971

Title:
Resonance assignments and structure determination of poneritoxin, omega-PONTX-Ae1a, from Anochetus emarginatus
Deposition date:
2016-02-03
Original release date:
2017-01-05
Authors:
Chin, Yanni; Touchard, Axel; King, Glenn
Citation:

Citation: Touchard, Axel; Brust, Andreas; Cardoso, Fernanda; Chin, Yanni; Herzig, Volker; Jin, Aihua; Dejean, Alain; Alewood, Paul; King, Glenn; Orivel, Jerome; Escoubas, Pierre. "Isolation and characterization of a structurally unique beta-hairpin venom peptide from the predatory ant Anochetus emarginatus"  Biochim. Biophys. Acta 1860, 2553-2562 (2016).
PubMed: 27474999

Assembly members:

Assembly members:
entity, polymer, 17 residues, 1742.081 Da.

Natural source:

Natural source:   Common Name: ants   Taxonomy ID: 486636   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Anochetus emarginatus

Experimental source:

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity: WCASGCRKKRHGGCSCX

Data sets:
Data typeCount
13C chemical shifts46
15N chemical shifts19
1H chemical shifts93

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity1

Entities:

Entity 1, entity 17 residues - 1742.081 Da.

1   TRPCYSALASERGLYCYSARGLYSLYSARG
2   HISGLYGLYCYSSERCYSNH2

Samples:

AE1733: omega-PONTX-Ae1a 2 mM; AMINO GROUP 2 mM; D2O 5%; sodium phosphate 20 mM

AE1733-D2O: omega-PONTX-Ae1a 2 mM; AMINO GROUP 2 mM; D2O 100%; sodium phosphate 20 mM

sample_conditions_1: ionic strength: 20 mM; pH: 6; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCAE1733isotropicsample_conditions_1
2D 1H-13C HSQCAE1733isotropicsample_conditions_1
2D 1H-1H TOCSYAE1733isotropicsample_conditions_1
2D 1H-1H NOESYAE1733isotropicsample_conditions_1
2D 1H-1H NOESYAE1733-D2Oisotropicsample_conditions_1
2D 1H-13C HSQCAE1733-D2Oisotropicsample_conditions_1

Software:

TOPSPIN, Bruker Biospin - collection, processing

CYANA, Guntert, Mumenthaler and Wuthrich - structure solution

CcpNmr_Analysis, CCPN - chemical shift assignment, peak picking

TALOS, Cornilescu, Delaglio and Bax - Dihedral angle prediction

NMR spectrometers:

  • Bruker Avance 600 MHz

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