BMRB Entry 16780
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR16780
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Title: 1H, 15N, 13C resonance assignments for CobR
Deposition date: 2010-03-19 Original release date: 2014-03-04
Authors: Lawrence, Andrew; Taylor, Samantha; Howard, Mark; Warren, Martin
Citation: Lawrence, Andrew; Taylor, Samantha; Scott, Alan; Pickersgill, Richard; Howard, Mark; Warren, Martin. "Biophysical characterisation of CobR" Not known ., .-..
Assembly members:
CobR, polymer, 173 residues, Formula weight is not available
FAD, non-polymer, 785.550 Da.
Natural source: Common Name: Brucella melitensis Taxonomy ID: 29459 Superkingdom: Bacteria Kingdom: not available Genus/species: Brucella melitensis
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
CobR: MQTVNNIISSVSTVESKAYR
DAMSHYAGAVQIVTTAGAAG
RRGLTLTAACSVSDNPPTIL
ICLQKIHEENRIFIENGVFA
INTLAGPHQQLADAFSGRIG
LTQDERFELAAWEILATGAP
VLKGALAAFDCRVVSVQDHS
THHVLFGEVVGLSSHAEEEA
LIYLNRRYHKLEL
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 467 |
| 15N chemical shifts | 158 |
| 1H chemical shifts | 268 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | CobR | 1 |
| 2 | FAD | 2 |
Entities:
Entity 1, CobR 173 residues - Formula weight is not available
| 1 | MET | GLN | THR | VAL | ASN | ASN | ILE | ILE | SER | SER | ||||
| 2 | VAL | SER | THR | VAL | GLU | SER | LYS | ALA | TYR | ARG | ||||
| 3 | ASP | ALA | MET | SER | HIS | TYR | ALA | GLY | ALA | VAL | ||||
| 4 | GLN | ILE | VAL | THR | THR | ALA | GLY | ALA | ALA | GLY | ||||
| 5 | ARG | ARG | GLY | LEU | THR | LEU | THR | ALA | ALA | CYS | ||||
| 6 | SER | VAL | SER | ASP | ASN | PRO | PRO | THR | ILE | LEU | ||||
| 7 | ILE | CYS | LEU | GLN | LYS | ILE | HIS | GLU | GLU | ASN | ||||
| 8 | ARG | ILE | PHE | ILE | GLU | ASN | GLY | VAL | PHE | ALA | ||||
| 9 | ILE | ASN | THR | LEU | ALA | GLY | PRO | HIS | GLN | GLN | ||||
| 10 | LEU | ALA | ASP | ALA | PHE | SER | GLY | ARG | ILE | GLY | ||||
| 11 | LEU | THR | GLN | ASP | GLU | ARG | PHE | GLU | LEU | ALA | ||||
| 12 | ALA | TRP | GLU | ILE | LEU | ALA | THR | GLY | ALA | PRO | ||||
| 13 | VAL | LEU | LYS | GLY | ALA | LEU | ALA | ALA | PHE | ASP | ||||
| 14 | CYS | ARG | VAL | VAL | SER | VAL | GLN | ASP | HIS | SER | ||||
| 15 | THR | HIS | HIS | VAL | LEU | PHE | GLY | GLU | VAL | VAL | ||||
| 16 | GLY | LEU | SER | SER | HIS | ALA | GLU | GLU | GLU | ALA | ||||
| 17 | LEU | ILE | TYR | LEU | ASN | ARG | ARG | TYR | HIS | LYS | ||||
| 18 | LEU | GLU | LEU |
Entity 2, FAD - C27 H33 N9 O15 P2 - 785.550 Da.
| 1 | FAD |
Samples:
sample_1: CobR, [U-99% 13C; U-99% 15N], 1 mM; potassium phosphate 20 mM; sodium chloride 100 mM; FAD 1.2 mM; H2O 90%; D2O 10%
sample_conditions_1: ionic strength: 100 mM; pH: 6.5; pressure: 1 atm; temperature: 333 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
Software:
VNMR, Varian - collection
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
Analysis, CCPN - chemical shift assignment, data analysis, peak picking
NMR spectrometers:
- Varian INOVA 600 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts