BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 34102

Title: Solution structure of B. subtilis Sigma G inhibitor CsfB   PubMed: 29526435

Deposition date: 2017-02-21 Original release date: 2018-02-23

Authors: Martinez-Lumbreras, S.; Alfano, C.; Atkinson, A.; Isaacson, R.

Citation: Martinez-Lumbreras, Santiago; Alfano, Caterina; Evans, Nicola; Collins, Katherine; Flanagan, Kelly; Atkinson, R Andrew; Krysztofinska, Ewelina; Vydyanath, Anupama; Jackter, Jacquelin; Fixon-Owoo, Sarah; Camp, Amy; Isaacson, Rivka. "Structural and Functional Insights into Bacillus subtilis Sigma Factor Inhibitor, CsfB."  Structure 26, 640-648 (2018).

Assembly members:
entity_1, polymer, 49 residues, 5630.390 Da.
entity_ZN, non-polymer, 65.409 Da.

Natural source:   Common Name: Bacillus subtilis   Taxonomy ID: 1423   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Bacillus subtilis

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli

Entity Sequences (FASTA):
entity_1: SMDETVKLNHTCVICDQEKN RGIHLYTKFICLDCERKVIS TSTSDPDYA

Data sets:
Data typeCount
13C chemical shifts166
15N chemical shifts47
1H chemical shifts321

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_1, 11
2entity_1, 21
3entity_2, 12
4entity_2, 22

Entities:

Entity 1, entity_1, 1 49 residues - 5630.390 Da.

1   SERMETASPGLUTHRVALLYSLEUASNHIS
2   THRCYSVALILECYSASPGLNGLULYSASN
3   ARGGLYILEHISLEUTYRTHRLYSPHEILE
4   CYSLEUASPCYSGLUARGLYSVALILESER
5   THRSERTHRSERASPPROASPTYRALA

Entity 2, entity_2, 1 - Zn - 65.409 Da.

1   ZN

Samples:

sample_1: CsfB-labelled, [U-100% 13C; U-100% 15N], 1 mM

sample_2: CsfB-labelled, [U-100% 13C; U-100% 15N], 0.5 mM; CsfB 0.5 mM

sample_conditions_1: ionic strength: 250 mM; pH: 7.5; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aliphaticsample_1isotropicsample_conditions_1
3D filtered/edited 1H-13C NOESY aliphaticsample_2isotropicsample_conditions_1
3D 1H-13C NOESY aromaticsample_1isotropicsample_conditions_1

Software:

TOPSPIN, Bruker Biospin - collection

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

Analysis v2.4, CCPN - chemical shift assignment

ARIA v2.3, Linge, O'Donoghue and Nilges - refinement, structure calculation

TALOS v+, Cornilescu, Delaglio and Bax - data analysis

NMR spectrometers:

  • Bruker Avance 700 MHz
  • Bruker Avance 950 MHz

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