BMRB Entry 17650
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR17650
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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
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 399 |
| 15N chemical shifts | 91 |
| 1H chemical shifts | 681 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | full AbrB | 1 |
Entities:
Entity 1, full AbrB 94 residues - Formula weight is not available
| 1 | MET | LYS | SER | THR | GLY | ILE | VAL | ARG | LYS | VAL | ||||
| 2 | ASP | GLU | LEU | GLY | ARG | VAL | VAL | ILE | PRO | ILE | ||||
| 3 | GLU | LEU | ARG | ARG | THR | LEU | GLY | ILE | ALA | GLU | ||||
| 4 | LYS | ASP | ALA | LEU | GLU | ILE | TYR | VAL | ASP | ASP | ||||
| 5 | GLU | LYS | ILE | ILE | LEU | LYS | LYS | TYR | LYS | PRO | ||||
| 6 | ASN | MET | THR | CYS | GLN | VAL | THR | GLY | GLU | VAL | ||||
| 7 | SER | ASP | GLY | ASN | LEU | PHE | LEU | ALA | GLU | GLY | ||||
| 8 | LYS | ILE | ILE | LEU | SER | LYS | GLU | GLY | ALA | GLU | ||||
| 9 | GLN | ILE | LEU | ASN | GLU | LEU | GLN | ASP | TYR | ILE | ||||
| 10 | GLU | THR | ALA | LYS |
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:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACO | sample_1 | isotropic | sample_conditions_1 |
| 3D C(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D H(CCO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HBHACONH | sample_1 | isotropic | sample_conditions_1 |
| 3D 15N TOCSY | sample_1 | isotropic | sample_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