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 15122

Title: Structure and dynamics of surfactin studied by NMR in micellar media   PubMed: 17256853

Deposition date: 2007-01-31 Original release date: 2007-03-06

Authors: Tsan, P.; Volpon, L.; Lancelin, J.

Citation: Tsan, P.; Volpon, L.; Besson, F.; Lancelin, J.. "Structure and dynamics of surfactin studied by NMR in micellar media"  J. Am. Chem. Soc. 129, 1968-1977 (2007).

Assembly members:
ELLVDLL, polymer, 7 residues, Formula weight is not available
(R)-3-HYDROXYTETRADECANAL, non-polymer, 228.371 Da.

Natural source:   Common Name: bacteria   Taxonomy ID: not available   Superkingdom: not available   Kingdom: not available   Genus/species: not available not available

Experimental source:   Production method: purified from the natural source   Host organism: bacillus subtilis

Entity Sequences (FASTA):

Data sets:
Data typeCount
15N chemical shifts7
1H chemical shifts69

Additional metadata:

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


Entity Assembly IDEntity NameEntity ID


Entity 1, surfactin 7 residues - Formula weight is not available

residues with LLDLLDL configuration


Entity 2, (R)-3-HYDROXYTETRADECANAL - C14 H28 O2 - 228.371 Da.

1   BFC


sample: surfactin, [U-15N], 4 mM; SDS, [U-99% 2H], 50 mM

sample_conditions_1: pH: 5.1; pressure: 1 atm; temperature: 298 K


NameSampleSample stateSample conditions
2D TOCSYsampleisotropicsample_conditions_1
2D NOESYsampleisotropicsample_conditions_1
2D 1H-15N HSQCsampleisotropicsample_conditions_1


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

GIFA v4.0, Marc-Andre Delsuc - data analysis

Molmol, Koradi, Billeter and Wuthrich - data analysis

X-PLOR, Brunger - structure solution

NMR spectrometers:

  • Bruker DRX 500 MHz

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