BMRB Entry 26743

Title:
EeCentrocin 1 Heavy Chain
Deposition date:
2016-02-05
Original release date:
2016-09-09
Authors:
Solstad, Runar; Li, Chun; Isaksson, Johan; Johansen, Jostein; Svenson, Johan; Stensvag, Klara; Haug, Tor
Citation:

Citation: Solstad, Runar; Li, Chun; Isaksson, Johan; Johansen, Jostein; Svenson, Johan; Stensvag, Klara; Haug, Tor. "Novel Antimicrobial Peptides EeCentrocins 1, 2 and EeStrongylocin 2 from the Edible Sea Urchin Echinus esculentus Have 6-Br-Trp Post-Translational Modifications"  Plos One 11, e0151820-e0151820 (2016).
PubMed: 27007817

Assembly members:

Assembly members:
EeCentrocin_1, polymer, 30 residues, 4835.241 Da.
6-BROMO-TRYPTOPHAN, non-polymer, 283.121 Da.

Natural source:

Natural source:   Common Name: sea urchins   Taxonomy ID: 7648   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Echinus esculentus

Experimental source:

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
EeCentrocin_1: GWWRRTVDKVRNAGRKVAGF ASKACGALGH

Data sets:
Data typeCount
13C chemical shifts114
15N chemical shifts31
1H chemical shifts190

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1EeCentrocin 11
26-Br_Tryptophan 12
3EeCentrocin 21
46-Br_Tryptophan 22

Entities:

Entity 1, EeCentrocin 1 30 residues - 4835.241 Da.

W2 and W3 are brominated in the 6 position, and these two residues are racemic (BTR)

1   GLYTRPTRPARGARGTHRVALASPLYSVAL
2   ARGASNALAGLYARGLYSVALALAGLYPHE
3   ALASERLYSALACYSGLYALALEUGLYHIS

Entity 2, 6-Br_Tryptophan 1 - 283.121 Da.

1   BTR

Samples:

sample_1: EeCentrocin 1 6 mM; H2O 95%; D2O 5%

sample_conditions_1: ionic strength: 0 M; pH: 7; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HMBCsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D DQF-COSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1

Software:

VNMRJ v3.2A, Varian - collection

CARA v1.8.4.2, Keller and Wuthrich - chemical shift assignment

NMR spectrometers:

  • Varian INOVA 600 MHz

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