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 17650

Title: 1H, 13C, and 15N resonance assignments and secondary structure prediction of the full-length transition state regulator AbrB from Bacillus anthracis   PubMed: 21845362

Deposition date: 2011-05-13 Original release date: 2011-08-19

Authors: Olson, Andrew; Bobay, Benjamin; Cavanagh, John; Melander, Christian

Citation: Olson, Andrew; Bobay, Benjamin; Melander, Christian; Cavanagh, John. "(1)H, (13)C, and (15)N resonance assignments and secondary structure prediction of the full-length transition state regulator AbrB from Bacillus anthracis."  Biomol. NMR Assignments 6, 95-98 (2012).

Assembly members:
ba, polymer, 94 residues, Formula weight is not available

Natural source:   Common Name: anthrax   Taxonomy ID: 1392   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Bacillus anthracis

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

Entity Sequences (FASTA):
ba: MKSTGIVRKVDELGRVVIPI ELRRTLGIAEKDALEIYVDD EKIILKKYKPNMTCQVTGEV SDGNLFLAEGKIILSKEGAE QILNELQDYIETAK

Data sets:
Data typeCount
13C chemical shifts399
15N chemical shifts91
1H chemical shifts681

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1full AbrB1

Entities:

Entity 1, full AbrB 94 residues - Formula weight is not available

1   METLYSSERTHRGLYILEVALARGLYSVAL
2   ASPGLULEUGLYARGVALVALILEPROILE
3   GLULEUARGARGTHRLEUGLYILEALAGLU
4   LYSASPALALEUGLUILETYRVALASPASP
5   GLULYSILEILELEULYSLYSTYRLYSPRO
6   ASNMETTHRCYSGLNVALTHRGLYGLUVAL
7   SERASPGLYASNLEUPHELEUALAGLUGLY
8   LYSILEILELEUSERLYSGLUGLYALAGLU
9   GLNILELEUASNGLULEUGLNASPTYRILE
10   GLUTHRALALYS

Samples:

sample_1: ba, [U-99% 13C; U-99% 15N], 750 uM; DTT 1 mM; potassium phosphate 10 mM; potassium chloride 15 mM; sodium azide .02%; EDTA 1 mM; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 0.015 M; pH: 6.0; pressure: 1 atm; temperature: 310 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCACOsample_1isotropicsample_conditions_1
3D C(CO)NHsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D H(CCO)NHsample_1isotropicsample_conditions_1
3D HBHACONHsample_1isotropicsample_conditions_1
3D 15N TOCSYsample_1isotropicsample_conditions_1

Software:

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

NMRView, Johnson, One Moon Scientific - chemical shift assignment, data analysis

SPARKY, Goddard - chemical shift assignment, data analysis

NMR spectrometers:

  • Bruker Avance 700 MHz
  • Varian INOVA 600 MHz

Related Database Links:

BMRB 4281
PDB
DBJ BAL15827 BAR73621 BAR86976 GAE43199 GAE95547
EMBL CCW03638 CDN39126 CDO67713 CEY26858 CGG04973
GB AAP07140 AAP24090 AAS38971 AAT29114 AAT52374
REF NP_829939 NP_842604 WP_000843034 WP_000843035 WP_000843036

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