BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 30236

Title: NMR Solution Structure of the Two-component Bacteriocin CbnXY   PubMed: 28391617

Deposition date: 2017-01-18 Original release date: 2017-11-20

Authors: Acedo, J.; Towle, K.; Lohans, C.; McKay, R.; Miskolzie, M.; Doerksen, T.; Vederas, J.; Martin-Visscher, L.

Citation: Acedo, J.; Towle, K.; Lohans, C.; McKay, R.; Miskolzie, M.; Doerksen, T.; Vederas, J.; Martin-Visscher, L.. "Identification and three-dimensional structure of carnobacteriocin XY, a class IIb bacteriocin produced by Carnobacteria"  FEBS Lett. 591, 1349-1359 (2017).

Assembly members:
entity_1, polymer, 33 residues, 3590.177 Da.

Natural source:   Common Name: Carnobacterium maltaromaticum   Taxonomy ID: 2751   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Carnobacterium maltaromaticum

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli BL21(DE3)

Entity Sequences (FASTA):
entity_1: WGWKEVVQNGQTIFSAGQKL GNMVGKIVPLPFG

Data sets:
Data typeCount
13C chemical shifts104
15N chemical shifts37
1H chemical shifts240

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1entity_11

Entities:

Entity 1, entity_1 33 residues - 3590.177 Da.

1   TRPGLYTRPLYSGLUVALVALGLNASNGLY
2   GLNTHRILEPHESERALAGLYGLNLYSLEU
3   GLYASNMETVALGLYLYSILEVALPROLEU
4   PROPHEGLY

Samples:

sample_1: CbnX, [U-99% 13C; U-99% 15N], 1 mM; DSS, none, 0.01%; trifluoroethanol, [U-99% 2H], 50%; water, none, 50%

sample_conditions_1: ionic strength: 0 mM; pH: 6; pressure: 760 mmHg; temperature: 300 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-15N TOCSYsample_1isotropicsample_conditions_1

Software:

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

NMRView, Johnson, One Moon Scientific - data analysis

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

NMR spectrometers:

  • Varian VNMRS 700 MHz

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