BMRB Entry 16241

Name: Plantaricin J in TFE
Published: 2009-06-25

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PDB ID: 2khg
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR16241
MolProbity Validation Chart

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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:

Plantaricin J in TFE

Deposition date:

2009-04-06

Original release date:

2009-06-25

Authors:

Rogne, Per; Haugen, Christofer; Kristiansen, Per Eugen; Nissen-Meyer, Jon

Citation:

Citation: Rogne, Per; Haugen, Christofer; Fimland, Gunnar; Nissen-Meyer, Jon; Kristiansen, Per Eugen. "Three-dimensional structure of the two-peptide bacteriocin plantaricin JK" Peptides 30, 1613-1621 (2009).
PubMed: 19538999

Assembly members:

Assembly members:
PlnJ, polymer, 25 residues, 2935.335 Da.

Natural source:

Natural source: Common Name: Lactobacillus plantarum Taxonomy ID: 1590 Superkingdom: Bacteria Kingdom: not available Genus/species: Lactobacillus plantarum

Experimental source:

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
PlnJ: GAWKNFWSSLRKGFYDGEAG RAIRR

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1
coupling_constants
- coupling_constant_list_1

Data type	Count
13C chemical shifts	88
15N chemical shifts	27
1H chemical shifts	180
coupling constants	19

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	PlnJ	1

Entities:

Entity 1, PlnJ 25 residues - 2935.335 Da.

1

GLY

ALA

TRP

LYS

ASN

PHE

TRP

SER

LEU

2

ARG

LYS

GLY

PHE

TYR

ASP

GLY

GLU

ALA

GLY

3

ARG

ALA

ILE

ARG

Samples:

Unlabeled: PlnJ 1 mM; TFE, [U-99% 2H], 50%; TFA 0.1%; DSS 0.2 mM

sample_conditions_1: pH: 2.5; pressure: 1 atm; temperature: 297 K

Experiments:

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

Software:

TOPSPIN v1.3, Bruker Biospin - collection, processing

SPARKY, Goddard - chemical shift assignment, peak picking

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

ACME, Delaglio, Zhengrong and Bax - data analysis

CYANA v2.1, Guntert, Mumenthaler and Wuthrich - structure solution

Molmol v2k2, Koradi, Billeter and Wuthrich - data analysis

NMR spectrometers:

Bruker Avance 600 MHz

BMRB	16239
PDB	2KHF 2KHG
EMBL	CAA64198 CCC77915
GB	AAS21883 ABC59149 ACO06038 ADE08245 ADN97562
REF	WP_003641973 WP_015379769 WP_033611278 YP_004888429