BMRB Entry 16709

Name: Spatial structure of Lch-beta peptide from two-component lantibiotic system Lichenicidin VK21
Published: 2011-05-19

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PDB ID: 2ktn
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR16709
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

Spatial structure of Lch-beta peptide from two-component lantibiotic system Lichenicidin VK21

Deposition date:

2010-02-05

Original release date:

2011-05-19

Authors:

Mineev, Konstantin; Shenkarev, Zakhar; Ovchinnikova, Tatiana; Arseniev, Alexander

Citation:

Citation: Shenkarev, Zakhar; Finkina, Ekaterina; Nurmukhamedova, Elina; Balandin, Sergey; Mineev, Konstantin; Nadezhdin, Kirill; Yakimenko, Zoya; Tagaev, Andrey; Temirov, Yuri; Arseniev, Alexander; Ovchinnikova, Tatiana. "Isolation, structure elucidation, and synergistic antibacterial activity of a novel two-component lantibiotic lichenicidin from Bacillus licheniformis VK21." Biochemistry 49, 6462-6472 (2010).
PubMed: 20578714

Assembly members:

Assembly members:
LchB, polymer, 32 residues, Formula weight is not available

Natural source:

Natural source: Common Name: Bacillus licheniformis Taxonomy ID: 1402 Superkingdom: Eubacteria Kingdom: not available Genus/species: Bacillus licheniformis

Experimental source:

Experimental source: Production method: purified from the natural source Host organism: Bacillus Licheniformis Vector: none

Entity Sequences (FASTA):

Entity Sequences (FASTA):
LchB: XXPAXXXXWTCIXAGVXVXA SLCPXXKCXSRC

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	84
1H chemical shifts	170

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	LchB	1

Entities:

Entity 1, LchB 32 residues - Formula weight is not available

1

2KT

DBU

PRO

ALA

DBU

DAL

DHA

TRP

THR

2

CYS

ILE

DBU

ALA

GLY

VAL

DBU

VAL

DAL

ALA

3

SER

LEU

CYS

PRO

ABA

DBU

LYS

CYS

ABA

SER

4

ARG

CYS

Samples:

sample_1: LchB 0.5 mM; methanol, [U-100% 2H], 500 mg

sample_conditions_1: pH: 3.5; pressure: 1 atm; temperature: 300 K

Experiments:

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

Software:

CARA v1.5.3, Keller and Wuthrich - chemical shift assignment

TOPSPIN v2.1, Bruker Biospin - collection, processing

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

NMR spectrometers:

Bruker Avance 700 MHz