BMRB Entry 34614

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR34614
MolProbity Validation Chart

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Title:
BacSp222 bacteriocin: succinyl-K20 form
Deposition date:
2021-03-22
Original release date:
2021-06-28
Authors:
Nowakowski, M.; Mak, P.; Smialek, J.
Citation:

Citation: Smialek, J.; Nowakowski, M.; Bzowska, M.; Bochenska, O.; Wlizlo, A.; Kozik, A.; Dubin, G.; Mak, P.. "Structure, Biosynthesis, and Biological Activity of Succinylated Forms of Bacteriocin BacSp222"  Int. J. Mol. Sci. 22, 6256-6256 (2021).

Assembly members:

Assembly members:
Bacteriocin BacSp222, polymer, 50 residues, 6028.939 Da.

Natural source:

Natural source:   Common Name: Staphylococcus pseudintermedius   Taxonomy ID: 283734   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Staphylococcus pseudintermedius

Experimental source:

Experimental source:   Production method: recombinant technology

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Bacteriocin BacSp222: XAGLLRFLLSKGRALYNWAX SHVGKVWEWLKSGATYEQIK EWIENALGWR

Data sets:
Data typeCount
13C chemical shifts179
15N chemical shifts55
1H chemical shifts352

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1unit_11

Entities:

Entity 1, unit_1 50 residues - 6028.939 Da.

1   FMEALAGLYLEULEUARGPHELEULEUSER
2   LYSGLYARGALALEUTYRASNTRPALASLL
3   SERHISVALGLYLYSVALTRPGLUTRPLEU
4   LYSSERGLYALATHRTYRGLUGLNILELYS
5   GLUTRPILEGLUASNALALEUGLYTRPARG

Samples:

sample_1: BacSp222 bacteriocin: succinyl-K20 form 0.5 mM; sodium acetate, [U-100% 2H], 100 mM; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 100 mM; pH: 5; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D NOESYsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aliphaticsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aromaticsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1

Software:

Sparky, Goddard - chemical shift assignment

CYANA v3.98.13, Guntert, Mumenthaler and Wuthrich - structure calculation

X-PLOR NIH v2.42, Schwieters, Kuszewski, Tjandra and Clore - structure calculation

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

NMR spectrometers:

  • Varian Uniform NMR System 700 MHz

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