BMRB Entry 30235

Name: NMR Solution Structure of the Two-component Bacteriocin CbnXY
Published: 2017-11-20

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PDB ID: 5ujq
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR30235
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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 the Two-component Bacteriocin CbnXY

Deposition date:

2017-01-18

Original release date:

2017-11-20

Authors:

Acedo, J.; Towle, K.; Lohans, C.; McKay, R.; Miskolzie, M.; Doerksen, T.; Vederas, J.; Martin-Visscher, L.

Citation:

Citation: Acedo, J.; Towle, K.; Lohans, C.; McKay, R.; Miskolzie, M.; Doerksen, T.; Vederas, J.; Martin-Visscher, L.. "Identification and three-dimensional structure of carnobacteriocin XY, a class IIb bacteriocin produced by Carnobacteria" FEBS Lett. 591, 1349-1359 (2017).
PubMed: 28391617

Assembly members:

Assembly members:
entity_1, polymer, 29 residues, 3098.687 Da.

Natural source:

Natural source: Common Name: Carnobacterium maltaromaticum Taxonomy ID: 2751 Superkingdom: Bacteria Kingdom: not available Genus/species: Carnobacterium maltaromaticum

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli BL21(DE3)

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: SAILAITLGIFATGYGMGVQ KAINDRRKK

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	90
15N chemical shifts	30
1H chemical shifts	199

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	entity_1	1

Entities:

Entity 1, entity_1 29 residues - 3098.687 Da.

1

SER

ALA

ILE

LEU

ALA

ILE

THR

LEU

GLY

ILE

2

PHE

ALA

THR

GLY

TYR

GLY

MET

GLY

VAL

GLN

3

LYS

ALA

ILE

ASN

ASP

ARG

LYS

Samples:

sample_1: CbnY, [U-99% 13C; U-99% 15N], 1 mM; DSS, none, 0.01%; trifluoroethanol, D, 50%; water, none, 50%

sample_conditions_1: ionic strength: 0 mM; pH: 6; pressure: 760 mmHg; temperature: 300 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 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-15N TOCSY	sample_1	isotropic	sample_conditions_1

Software:

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

NMRView, Johnson, One Moon Scientific - data analysis

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

NMR spectrometers:

Varian VNMRS 700 MHz

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