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 34153

Title: M. tuberculosis [4Fe-4S] protein WhiB1 is a four-helix bundle that forms a NO-sensitive complex with sigmaA and regulates the major virulence factor ESX-1

Deposition date: 2017-06-25 Original release date: 2017-12-26

Authors: Williamson, M.; Green, J.; Hounslow, A.

Citation: Kudhair, B.; Hounslow, A.; Rolfe, M.; Crack, J.; Hunt, D.; Buxton, R.; Smith, L.; Le Brun, N.; Williamson, M.; Green, J.. "M. tuberculosis [4Fe-4S] protein WhiB1 is a four-helix bundle that forms a NO-sensitive complex with sigmaA and regulates the major virulence factor ESX-1"  in preparation ., .-..

Assembly members:
Transcriptional regulator WhiB1, polymer, 94 residues, 10383.681 Da.
IRON/SULFUR CLUSTER, non-polymer, 351.640 Da.

Natural source:   Common Name: Mycobacterium tuberculosis   Taxonomy ID: 83332   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Mycobacterium Mycobacterium tuberculosis

Experimental source:   Production method: recombinant technology   Host organism: Mycobacterium smegmatis

Entity Sequences (FASTA):
Transcriptional regulator WhiB1: AGENLYFQGAMDWRHKAVCR DEDPELFFPVGNSGPALAQI ADAKLVCNRCPVTTECLSWA LNTGQDSGVWGGMSEDERRA LKRRNARTKARTGV

Data sets:
Data typeCount
13C chemical shifts322
15N chemical shifts86
1H chemical shifts449

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11
2entity_22

Entities:

Entity 1, entity_1 94 residues - 10383.681 Da.

1   ALAGLYGLUASNLEUTYRPHEGLNGLYALA
2   METASPTRPARGHISLYSALAVALCYSARG
3   ASPGLUASPPROGLULEUPHEPHEPROVAL
4   GLYASNSERGLYPROALALEUALAGLNILE
5   ALAASPALALYSLEUVALCYSASNARGCYS
6   PROVALTHRTHRGLUCYSLEUSERTRPALA
7   LEUASNTHRGLYGLNASPSERGLYVALTRP
8   GLYGLYMETSERGLUASPGLUARGARGALA
9   LEULYSARGARGASNALAARGTHRLYSALA
10   ARGTHRGLYVAL

Entity 2, entity_2 - Fe4 S4 - 351.640 Da.

1   SF4

Samples:

sample_1: WhiB1 protein 0.3 mM; sodium chloride 250 mM; sodium phosphate 25 mM

sample_conditions_1: ionic strength: 300 mM; pH: 7.0; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
3D HNCOsample_1isotropicsample_conditions_1
HN(CA)COsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
HNCA(N)NHsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
CCH-TOCSYsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
HBCB(CGCD)HDsample_1isotropicsample_conditions_1

Software:

CNS v1.2, Brunger, Adams, Clore, Gros, Nilges and Read - structure calculation

NMR spectrometers:

  • Bruker Avance 800 MHz
  • Bruker Avance 600 MHz

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