BMRB Entry 19832

Name: Structure of the antimicrobial peptide LsbB in DPC micelles
Published: 2014-07-14

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PDB ID: 2mlu
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR19832
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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 of the antimicrobial peptide LsbB in DPC micelles

Deposition date:

2014-03-05

Original release date:

2014-07-14

Authors:

Kristiansen, Per Eugen; Ovchinnikov, Kirill; Diep, Dzung Bao

Citation:

Citation: Ovchinnikov, Kirill; Kristiansen, Per; Uzelac, Gordana; Topisirovic, Ljubisa; Kojic, Milan; Nissen-Meyer, Jon; Nes, Ingolf; Diep, Dzung. "Defining the Structure and Receptor Binding Domain of the Leaderless Bacteriocin LsbB." J. Biol. Chem. 289, 23838-23845 (2014).
PubMed: 24993828

Assembly members:

Assembly members:
Molecule_1, polymer, 30 residues, 3409.9902 Da.

Natural source:

Natural source: Common Name: firmicutes Taxonomy ID: 1358 Superkingdom: Bacteria Kingdom: not available Genus/species: Lactococcus lactis

Experimental source:

Experimental source: Production method: chemical synthesis Host organism: not applicable

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Molecule_1: MKTILRFVAGYDIASHKKKT GGYPWERGKA

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list

Data type	Count
13C chemical shifts	98
15N chemical shifts	28
1H chemical shifts	230

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	antimicrobial peptide LsbB	1

Entities:

Entity 1, antimicrobial peptide LsbB 30 residues - 3409.9902 Da.

1	MET	LYS	THR	ILE	LEU	ARG	PHE	VAL	ALA	GLY
2	TYR	ASP	ILE	ALA	SER	HIS	LYS	LYS	LYS	THR
3	GLY	GLY	TYR	PRO	TRP	GLU	ARG	GLY	LYS	ALA

Samples:

sample_1: Molecule_1 1.0 ± 0.1 mM; DSS 0.2 ± 0.02 mM; DPC, [U-99% 2H], 200 ± 10 mM; H2O 95%; D2O 5%

sample_conditions_1: pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D DQF-COSY	sample_1	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-!H NOESY	sample_1	isotropic	sample_conditions_1

Software:

CYANA, Guntert, Mumenthaler and Wuthrich - structure solution

SPARKY, Goddard - peak picking

TOPSPIN v2.4, Bruker Biospin - collection

CARA, Keller and Wuthrich - chemical shift assignment

TALOS v+, Cornilescu, Delaglio and Bax - data analysis

NMR spectrometers:

Bruker Avance 600 MHz

BMRB	19833
PDB	2MLU 2MLV
GB	AAP73814 AGY45983
REF	NP_861549 WP_011116717

1	MET	LYS	THR	ILE	LEU	ARG	PHE	VAL	ALA	GLY
2	TYR	ASP	ILE	ALA	SER	HIS	LYS	LYS	LYS	THR
3	GLY	GLY	TYR	PRO	TRP	GLU	ARG	GLY	LYS	ALA

1	MET	LYS	THR	ILE	LEU	ARG	PHE	VAL	ALA	GLY
2	TYR	ASP	ILE	ALA	SER	HIS	LYS	LYS	LYS	THR
3	GLY	GLY	TYR	PRO	TRP	GLU	ARG	GLY	LYS	ALA