BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

BMRB Entry 17583

Title: Thurincin H   PubMed: 21786372

Deposition date: 2011-04-10 Original release date: 2011-08-17

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

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).

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

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

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

Entity Sequences (FASTA):
thurincin H: DWTCWSCLVCAACSVELLXL VXAAXGAXTAS

Data sets:
Data typeCount
13C chemical shifts111
15N chemical shifts29
1H chemical shifts176

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1thurincin H1

Entities:

Entity 1, thurincin H 31 residues - 3148.575 Da.

1   ASPTRPTHRCYSTRPSERCYSLEUVALCYS
2   ALAALACYSSERVALGLULEULEUDSGLEU
3   VALDTHALAALADTHGLYALADSNTHRALA
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:

NameSampleSample stateSample conditions
2D 1H-13C HSQC aliphaticsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HNHAsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
rtm-HNCAsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D 1H-13C NOESYsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-15N TOCSYsample_1isotropicsample_conditions_1

Software:

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

NMR spectrometers:

  • Varian INOVA 800 MHz
  • Varian INOVA 500 MHz

Related Database Links:

PDB

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