BMRB Entry 15122

Name: Structure and dynamics of surfactin studied by NMR in micellar media
Published: 2007-03-06

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR15122

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Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

Structure and dynamics of surfactin studied by NMR in micellar media

Deposition date:

2007-01-31

Original release date:

2007-03-06

Authors:

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

Citation:

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).
PubMed: 17256853

Assembly members:

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

Natural source:

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

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
ELLVDLL: ELXVDXL

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
15N chemical shifts	7
1H chemical shifts	69

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	surfactin	1
2	(R)-3-HYDROXYTETRADECANAL	2

Entities:

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

residues with LLDLLDL configuration

1

GLU

LEU

DLE

VAL

ASP

DLE

LEU

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

1

BFC

Samples:

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

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

Experiments:

Name	Sample	Sample state	Sample conditions
DQF-COSY	sample	isotropic	sample_conditions_1
2D TOCSY	sample	isotropic	sample_conditions_1
2D NOESY	sample	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample	isotropic	sample_conditions_1

Software:

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 peaks
SPARKY: Backbone or all simulated peaks