BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

BMRB Entry 27480

Title: Structural studies suggest aggregation as one of the modes of action for teixobactin   PubMed: 30627403

Deposition date: 2018-05-14 Original release date: 2018-09-20

Authors: Oster, Carl; Lewandowski, Jozef

Citation: Oster, Carl; Walkowiak, Grzegorz; Hughes, Dallas; Spoering, Amy; Peoples, Aaron; Catherwood, Anita; Tod, Julie; Lloyd, Adrian; Herrmann, Torsten; Lewis, Kim; Dowson, Christopher; Lewandowski, Jozef. "Structural studies suggest aggregation as one of the modes of action for teixobactin."  Chem. Sci. 9, 8850-8859 (2018).

Assembly members:
teixobactin, polymer, 11 residues, Formula weight is not available

Natural source:   Common Name: Eleftheria terrae   Taxonomy ID: 1597781   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Eleftheria terrae

Experimental source:   Production method: purified from the natural source   Host organism: Eleftheria terrae

Entity Sequences (FASTA):
teixobactin: XISXXISXAXI

Data sets:
Data typeCount
13C chemical shifts51
15N chemical shifts15
1H chemical shifts80

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1teixobactin1

Entities:

Entity 1, teixobactin 11 residues - Formula weight is not available

1   ZAEILESERDGN28JILESERDTHALAXXX
2   ILE

Samples:

sample_1: teixobactin mM; sodium phosphate 10 mM; DPC, [U-99% 2H], 45 mM

sample_conditions_1: ionic strength: 0.014 M; pH: 6.5; pressure: 1 atm; temperature: 273 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N inverse CPsample_1anisotropicsample_conditions_1
2D 1H-13C inverse CPsample_1anisotropicsample_conditions_1
3D HCCH-TOCSYsample_1anisotropicsample_conditions_1
3D HNCOsample_1anisotropicsample_conditions_1
3D HNCAsample_1anisotropicsample_conditions_1
3D HCOCAHAsample_1anisotropicsample_conditions_1

Software:

SPARKY, Goddard - chemical shift assignment

NMR spectrometers:

  • Bruker Avance 600 MHz

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