BMRB Entry 25857

Name: NMR Solution Structure of Lacticin Q and Aureocin A53
Published: 2016-02-15

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PDB ID: 2n8o
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR25857
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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:

NMR Solution Structure of Lacticin Q and Aureocin A53

Deposition date:

2015-10-22

Original release date:

2016-02-15

Authors:

Acedo, Jeella; van Belkum, Marco; Lohans, Christopher; Towle, Kaitlyn; Miskolzie, Mark; Vederas, John

Citation:

Citation: Acedo, Jeella; van Belkum, Marco; Lohans, Christopher; Towle, Kaitlyn; Miskolzie, Mark; Vederas, John. "Nuclear Magnetic Resonance Solution Structures of Lacticin Q and Aureocin A53 Reveal a Structural Motif Conserved among Leaderless Bacteriocins with Broad-Spectrum Activity" Biochemistry 55, 733-742 (2016).
PubMed: 26771761

Assembly members:

Assembly members:
Aureocin_A53, polymer, 51 residues, 5994.296 Da.

Natural source:

Natural source: Common Name: Staphylococcus aureus Taxonomy ID: 1280 Superkingdom: Bacteria Kingdom: Eubacteria Genus/species: Staphylococcus aureus

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET-SUMO

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Aureocin_A53: MSWLNFLKYIAKYGKKAVSA AWKYKGKVLEWLNVGPTLEW VWQKLKKIAGL

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
1H chemical shifts	403

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Aureocin A53	1

Entities:

Entity 1, Aureocin A53 51 residues - 5994.296 Da.

1

MET

SER

TRP

LEU

ASN

PHE

LEU

LYS

TYR

ILE

2

ALA

LYS

TYR

GLY

LYS

ALA

VAL

SER

ALA

3

ALA

TRP

LYS

TYR

LYS

GLY

LYS

VAL

LEU

GLU

4

TRP

LEU

ASN

VAL

GLY

PRO

THR

LEU

GLU

TRP

5

VAL

TRP

GLN

LYS

LEU

LYS

ILE

ALA

GLY

6

LEU

Samples:

sample_1: Aureocin A53 1 mM; DSS 0.01 % w/v; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 0 M; pH: 7; pressure: 1 atm; temperature: 273 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-1H TOCSY	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1
2D DQF-COSY	sample_1	isotropic	sample_conditions_1

Software:

CYANA, Guntert, Mumenthaler and Wuthrich - refinement, structure solution

NMR spectrometers:

Varian vNMRJ 700 MHz