BMRB Entry 34006

Name: NMR Structure of Enterocin K1 in 50%/50% TFE/Water
Published: 2017-05-11

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PDB ID: 5l82
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR34006
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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 Structure of Enterocin K1 in 50%/50% TFE/Water

Deposition date:

2016-06-06

Original release date:

2017-05-11

Authors:

Ovchinnikov, K.; Kristiansen, P.; Diep, D.

Citation:

Citation: Ovchinnikov, Kirill; Kristiansen, Per Eugen; Straume, Daniel; Jensen, Marianne; Aleksandrzak-Piekarczyk, Tamara; Nes, Ingolf; Diep, Dzung. "The Leaderless Bacteriocin Enterocin K1 Is Highly Potent against Enterococcus faecium: A Study on Structure, Target Spectrum and Receptor" Front Microbiol 8, 774-774 (2017).
PubMed: 28515717

Assembly members:

Assembly members:
Enterococcin K1, polymer, 37 residues, 4572.396 Da.

Natural source:

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

Experimental source:

Experimental source: Production method: .

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Enterococcin K1: MKFKFNPTGTIVKKLTQYEI AWFKNKHGYYPWEIPRC

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	149
15N chemical shifts	35
1H chemical shifts	290

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 37 residues - 4572.396 Da.

1

MET

LYS

PHE

LYS

PHE

ASN

PRO

THR

GLY

THR

2

ILE

VAL

LYS

LEU

THR

GLN

TYR

GLU

ILE

3

ALA

TRP

PHE

LYS

ASN

LYS

HIS

GLY

TYR

4

PRO

TRP

GLU

ILE

PRO

ARG

CYS

Samples:

sample_1: DSS, na, 0.2 mM; Enterococcin K1 1.0 mM; H2O 50%; TFE, U-D, 50%

sample_conditions_1: ionic strength: 0 mM; pH: 4; pressure: 1 atm; temperature: 298 K

Experiments:

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

Software:

CARA, Keller and Wuthrich - chemical shift assignment

CYANA, Guntert, Mumenthaler and Wuthrich - structure calculation

SPARKY, Goddard - peak picking

TALOS, Cornilescu, Delaglio and Bax - data analysis

xwinnmr, Bruker Biospin - processing

NMR spectrometers:

Bruker AvanceII 600 MHz

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