BMRB Entry 34278

Name: Plantaricin S-a in 100 mM DPC micelles. This is the alpha part of the bacteriocin plantaricin S.
Published: 2019-03-04

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PDB ID: 6gnz
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR34278
MolProbity Validation Chart

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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title: Plantaricin S-a in 100 mM DPC micelles. This is the alpha part of the bacteriocin plantaricin S. PubMed: 30787405

Deposition date: 2018-06-01 Original release date: 2019-03-04

Authors: Ekblad, B.; Kristiansen, P.

Citation: Ekblad, B.; Kristiansen, P.. "NMR structures and mutational analysis of the two peptides constituting the bacteriocin plantaricin S." Sci. Rep. 9, 2333-2333 (2019).

Assembly members:
Plantaricin S alpha protein, polymer, 27 residues, 2926.441 Da.

Natural source: Common Name: Lactobacillus plantarum Taxonomy ID: 1590 Superkingdom: Bacteria Kingdom: Terrabacteria Genus/species: Lactobacillus plantarum

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):
Plantaricin S alpha protein: RNKLAYNMGHYAGKATIFGL AAWALLA

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	67
15N chemical shifts	24
1H chemical shifts	200

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 27 residues - 2926.441 Da.

1

ARG

ASN

LYS

LEU

ALA

TYR

ASN

MET

GLY

HIS

2

TYR

ALA

GLY

LYS

ALA

THR

ILE

PHE

GLY

LEU

3

ALA

TRP

ALA

LEU

ALA

Samples:

sample_1: Plantaricin Sb 1 ± 0.05 mM; DSS 0.2 ± 0.01 mM; DPC, [U-100% 2H], 100 ± 0.05 mM

sample_conditions_1: pH: 6.5; pressure: 1 atm; temperature: 298 K

Experiments:

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

Software:

CNS v1.3, Brunger, Adams, Clore, Gros, Nilges and Read - refinement, structure calculation

CARA, Keller and Wuthrich - chemical shift assignment

SPARKY, Goddard - peak picking

TOPSPIN v2.4, Bruker Biospin - collection

TALOS, Cornilescu, Delaglio and Bax - data analysis

NMR spectrometers:

Bruker AvanceII 600 MHz

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