BMRB Entry 27480

Name: Structural studies suggest aggregation as one of the modes of action for teixobactin
Published: 2018-09-20

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR27480

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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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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:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	51
15N chemical shifts	15
1H chemical shifts	80

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	teixobactin	1

Entities:

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

1

ZAE

ILE

SER

DGN

28J

ILE

SER

DTH

ALA

XXX

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:

Name	Sample	Sample state	Sample conditions
2D 1H-15N inverse CP	sample_1	anisotropic	sample_conditions_1
2D 1H-13C inverse CP	sample_1	anisotropic	sample_conditions_1
3D HCCH-TOCSY	sample_1	anisotropic	sample_conditions_1
3D HNCO	sample_1	anisotropic	sample_conditions_1
3D HNCA	sample_1	anisotropic	sample_conditions_1
3D HCOCAHA	sample_1	anisotropic	sample_conditions_1

Software:

SPARKY, Goddard - chemical shift assignment

NMR spectrometers:

Bruker Avance 600 MHz

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