BMRB Entry 52013

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR52013

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Title:
1H, 15N, 13C assignments of Clovibactin in DMSO
Deposition date:
2023-07-03
Original release date:
2023-08-09
Authors:
Weingarth, Markus
Citation:

Citation: Shukla, Rhythm; Peoples, Aaron; Ludwig, Kevin; Maity, Sourav; Derks, Maik; De Benedetti, Stefania; Krueger, Annika; Vermeulen, Bram; Harbig, Theresa; Lavore, Francesca; Kumar, Raj; Honorato, Rodrigo; Grein, Fabian; Nieselt, Kay; Liu, Yangping; Bonvin, Alexandre; Baldus, Marc; Kubitscheck, Ulrich; Breukink, Eefjan; Achorn, Catherine; Nitti, Anthony; Schwalen, Christopher; Spoering, Amy; Ling, Losee Lucy; Hughes, Dallas; Lelli, Moreno; Roos, Wouter; Lewis, Kim; Schneider, Tanja; Weingarth, Markus. "An antibiotic from an uncultured bacterium binds to an immutable target"  Cell 186, 4059-4073 (2023).
PubMed: 37611581

Assembly members:

Assembly members:
entity_1, polymer, 8 residues, 903.5298 Da.

Natural source:

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

Experimental source:

Experimental source:   Production method: purified from the natural source

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: FXXSXALL

Data sets:
Data typeCount
13C chemical shifts28
15N chemical shifts10
1H chemical shifts55

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1clovibactin1

Entities:

Entity 1, clovibactin 8 residues - 903.5298 Da.

1   PHEDLEDLYSERAHBALALEULEU

Samples:

sample_1: Clovibactin, [U-100% 13C; U-100% 15N], 17 mM; DMSO, [U-99% 2H], - -

sample_conditions_1: pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
1D 1Hsample_1isotropicsample_conditions_1
1D 13Csample_1isotropicsample_conditions_1
2D 1H-1H COSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HMBCsample_1isotropicsample_conditions_1

Software:

TOPSPIN v4.1.4 - collection

NMR spectrometers:

  • Bruker Avance 500 MHz

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