BMRB Entry 27882
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR27882
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Title: Backbone 1H, 13C, 15N chemical shift assignments for the ShkA kinase Rec2 domain from Caulobacter crescentus
Deposition date: 2019-04-23 Original release date: 2019-12-12
Authors: Boehm, Raphael; Hiller, Sebastian
Citation: Boehm, Raphael; Hiller, Sebastian; Dubey, Badri; Agustoni, Elia; Mangia, Francesca; Mazur, Adam; Kaczmarczyk, Andreas; Jenal, Urs; Plaza-Menacho, Ivan; Schirmer, Tilman. "Hybrid Histidine kinase activation by cyclic-di-GMP induced domain liberation" .
Assembly members:
ShkA-Rec2, polymer, 169 residues, 17700 Da.
Natural source: Common Name: Caulobacter crescentus Taxonomy ID: 155892 Superkingdom: Bacteria Kingdom: not available Genus/species: Caulobacter crescentus
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET
Entity Sequences (FASTA):
ShkA-Rec2: MGSSHHHHHHSSGLVPRGSH
PAHDDRIAGAVASGARVLLA
EDNPINALLARTLLEREGCI
VDRVADGEQAIAAASAGVYD
LILMDLRMPGLTGIEAARAL
RAKGVATPIAALTADAFDED
RRTCLAAGMDDFLVKPLTQE
ALRDALKRWTTGGVSGGWTK
PATRAKVAG
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 183 |
| 15N chemical shifts | 99 |
| 1H chemical shifts | 99 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Rec2 | 1 |
Entities:
Entity 1, Rec2 169 residues - 17700 Da.
| 1 | MET | GLY | SER | SER | HIS | HIS | HIS | HIS | HIS | HIS | ||||
| 2 | SER | SER | GLY | LEU | VAL | PRO | ARG | GLY | SER | HIS | ||||
| 3 | PRO | ALA | HIS | ASP | ASP | ARG | ILE | ALA | GLY | ALA | ||||
| 4 | VAL | ALA | SER | GLY | ALA | ARG | VAL | LEU | LEU | ALA | ||||
| 5 | GLU | ASP | ASN | PRO | ILE | ASN | ALA | LEU | LEU | ALA | ||||
| 6 | ARG | THR | LEU | LEU | GLU | ARG | GLU | GLY | CYS | ILE | ||||
| 7 | VAL | ASP | ARG | VAL | ALA | ASP | GLY | GLU | GLN | ALA | ||||
| 8 | ILE | ALA | ALA | ALA | SER | ALA | GLY | VAL | TYR | ASP | ||||
| 9 | LEU | ILE | LEU | MET | ASP | LEU | ARG | MET | PRO | GLY | ||||
| 10 | LEU | THR | GLY | ILE | GLU | ALA | ALA | ARG | ALA | LEU | ||||
| 11 | ARG | ALA | LYS | GLY | VAL | ALA | THR | PRO | ILE | ALA | ||||
| 12 | ALA | LEU | THR | ALA | ASP | ALA | PHE | ASP | GLU | ASP | ||||
| 13 | ARG | ARG | THR | CYS | LEU | ALA | ALA | GLY | MET | ASP | ||||
| 14 | ASP | PHE | LEU | VAL | LYS | PRO | LEU | THR | GLN | GLU | ||||
| 15 | ALA | LEU | ARG | ASP | ALA | LEU | LYS | ARG | TRP | THR | ||||
| 16 | THR | GLY | GLY | VAL | SER | GLY | GLY | TRP | THR | LYS | ||||
| 17 | PRO | ALA | THR | ARG | ALA | LYS | VAL | ALA | GLY |
Samples:
sample_1: ShkA-Rec2, [U-99% 13C; U-99% 15N], 375 uM
sample_conditions_1: ionic strength: 0.195 M; pH: 7.2; pressure: 1 atm; temperature: 298.15 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCA | 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:
TOPSPIN v3.0, Bruker Biospin - collection
CARA, Keller and Wuthrich - chemical shift assignment
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
NMR spectrometers:
- Bruker Avance 700 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts