BMRB Entry 17583

Name: Thurincin H
Published: 2011-08-17

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PDB ID: 2lbz
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR17583
MolProbity Validation Chart

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

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Title:

Thurincin H

Deposition date:

2011-04-10

Original release date:

2011-08-17

Authors:

Sit, Clarissa; van Belkum, Marco; McKay, Ryan; Worobo, Randy; Vederas, John

Citation:

Citation: Sit, Clarissa; van Belkum, Marco; McKay, Ryan; Worobo, Randy; Vederas, John. "The 3D solution structure of thurincin H, a bacteriocin with four sulfur to -carbon crosslinks." Angew. Chem. Int. Ed. Engl. 50, 8718-8721 (2011).
PubMed: 21786372

Assembly members:

Assembly members:
thurincin H, polymer, 31 residues, 3148.575 Da.

Natural source:

Natural source: Common Name: B. thuringiensis Taxonomy ID: 1428 Superkingdom: Bacteria Kingdom: not available Genus/species: Bacillus thuringiensis

Experimental source:

Experimental source: Production method: purified from the natural source Host organism: Bacillus thuringiensis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
thurincin H: DWTCWSCLVCAACSVELLXL VXAAXGAXTAS

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	111
15N chemical shifts	29
1H chemical shifts	176

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	thurincin H	1

Entities:

Entity 1, thurincin H 31 residues - 3148.575 Da.

1

ASP

TRP

THR

CYS

TRP

SER

CYS

LEU

VAL

CYS

2

ALA

CYS

SER

VAL

GLU

LEU

DSG

LEU

3

VAL

DTH

ALA

DTH

GLY

ALA

DSN

THR

ALA

4

SER

Samples:

sample_1: entity, [U-100% 13C; U-100% 15N], 1 mM; DSS 100 uM

sample_conditions_1: pH: 7; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-13C HSQC aliphatic	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
3D HNHA	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
rtm-HNCA	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY	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:

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

NMR spectrometers:

Varian INOVA 800 MHz
Varian INOVA 500 MHz