BMRB Entry 51628
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51628
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Title: Backbone 1H, 13C, and 15N Chemical Shift Assignments for the C-terminal Rec domain (BeF3- bound state) of the hybrid Histidine Kinase CckA (CckARec) from Caulobacter crescentus.
Deposition date: 2022-09-15 Original release date: 2022-09-21
Authors: Bruderlin, Mitchell; Bohm, Raphael; Hiller, Sebastian; Schirmer, Tilman; Dubey, Badri
Citation: Bruderlin, Mitchell; Bohm, Raphael; Hiller, Sebastian; Schirmer, Tilman; Dubey, Badri. "Structural features discriminating hybrid histidine kinase Rec domains from their homologs in response regulators" Nat. Commun. ., .-..
Assembly members:
entity_1, polymer, 135 residues, Formula weight is not available
entity_BEF, non-polymer, 66.007 Da.
Natural source: Common Name: Caulobacter vibrioides Taxonomy ID: 155892 Superkingdom: Bacteria Kingdom: not available Genus/species: Caulobacter vibrioides
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET28a
Entity Sequences (FASTA):
entity_1: MGHHHHHHGSGSGAGRILFV
EDEDAVRSVAARLLRARGYE
VLEAADGEEALIIAEENAGT
IDLLISDVIMPGIDGPTLLK
KARGYLGTAPVMFISGYAEA
EFSDLLEGETGVTFLPKPID
IKTLAERVKQQLQAA
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 236 |
| 15N chemical shifts | 119 |
| 1H chemical shifts | 119 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | CckA-Rec | 1 |
| 2 | BeF3 | 2 |
Entities:
Entity 1, CckA-Rec 135 residues - Formula weight is not available
| 1 | MET | GLY | HIS | HIS | HIS | HIS | HIS | HIS | GLY | SER | ||||
| 2 | GLY | SER | GLY | ALA | GLY | ARG | ILE | LEU | PHE | VAL | ||||
| 3 | GLU | ASP | GLU | ASP | ALA | VAL | ARG | SER | VAL | ALA | ||||
| 4 | ALA | ARG | LEU | LEU | ARG | ALA | ARG | GLY | TYR | GLU | ||||
| 5 | VAL | LEU | GLU | ALA | ALA | ASP | GLY | GLU | GLU | ALA | ||||
| 6 | LEU | ILE | ILE | ALA | GLU | GLU | ASN | ALA | GLY | THR | ||||
| 7 | ILE | ASP | LEU | LEU | ILE | SER | ASP | VAL | ILE | MET | ||||
| 8 | PRO | GLY | ILE | ASP | GLY | PRO | THR | LEU | LEU | LYS | ||||
| 9 | LYS | ALA | ARG | GLY | TYR | LEU | GLY | THR | ALA | PRO | ||||
| 10 | VAL | MET | PHE | ILE | SER | GLY | TYR | ALA | GLU | ALA | ||||
| 11 | GLU | PHE | SER | ASP | LEU | LEU | GLU | GLY | GLU | THR | ||||
| 12 | GLY | VAL | THR | PHE | LEU | PRO | LYS | PRO | ILE | ASP | ||||
| 13 | ILE | LYS | THR | LEU | ALA | GLU | ARG | VAL | LYS | GLN | ||||
| 14 | GLN | LEU | GLN | ALA | ALA |
Entity 2, BeF3 - Be F3 - 66.007 Da.
| 1 | BEF |
Samples:
sample_1: CckA-Rec, [U-100% 13C; U-100% 15N], 0.8 mM; BeF3 0.8 mM
sample_conditions_1: pH: 6.8; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 1D 1H | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
Software:
CARA v1.9.2 - chemical shift assignment
TOPSPIN v3.2 - data collection
NMR spectrometers:
- Bruker AVANCE III 700 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts