BMRB Entry 27768
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR27768
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Title: Backbone 1H, 13C, and 15N Chemical Shift Assignments for the ShkA kinase Rec1 domain from Caulobacter crescentus
Deposition date: 2019-01-30 Original release date: 2019-12-12
Authors: Boehm, Raphael; Hiller, Sebastian
Citation: Boehm, Raphael; Hiller, Sebastian; Kaczmarczyk, Andreas; Hampel, Antje; von Arx, Christoph; Nesper, Jutta; Dubey, Badri; Schirmer, Tilman; Jenal, Urs. "A second-messenger-induced genetic program drives bacterial G1/S transition" .
Assembly members:
ShkA-Rec1, polymer, 151 residues, 15520 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-Rec1: MGSSHHHHHHSSGLVPRGSH
MAPLEGRNVAIASPNAIVRA
ATARQIEAAGGRAYAAVDIA
SALAGAPADAVLLIDAALSG
PRGALKPPAGRRSVVLLTPE
QRDRIDRLKAAGFSGYLIKP
LRAASLVAQVLQAVTADGVA
EDEPAHDDRIA
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 240 |
| 15N chemical shifts | 116 |
| 1H chemical shifts | 116 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Rec1 | 1 |
Entities:
Entity 1, Rec1 151 residues - 15520 Da.
Residues 1-21 represent a non-native affinity tag. Residue 22 corresponds to residue number 244 of full-length ShkA.
| 1 | MET | GLY | SER | SER | HIS | HIS | HIS | HIS | HIS | HIS | ||||
| 2 | SER | SER | GLY | LEU | VAL | PRO | ARG | GLY | SER | HIS | ||||
| 3 | MET | ALA | PRO | LEU | GLU | GLY | ARG | ASN | VAL | ALA | ||||
| 4 | ILE | ALA | SER | PRO | ASN | ALA | ILE | VAL | ARG | ALA | ||||
| 5 | ALA | THR | ALA | ARG | GLN | ILE | GLU | ALA | ALA | GLY | ||||
| 6 | GLY | ARG | ALA | TYR | ALA | ALA | VAL | ASP | ILE | ALA | ||||
| 7 | SER | ALA | LEU | ALA | GLY | ALA | PRO | ALA | ASP | ALA | ||||
| 8 | VAL | LEU | LEU | ILE | ASP | ALA | ALA | LEU | SER | GLY | ||||
| 9 | PRO | ARG | GLY | ALA | LEU | LYS | PRO | PRO | ALA | GLY | ||||
| 10 | ARG | ARG | SER | VAL | VAL | LEU | LEU | THR | PRO | GLU | ||||
| 11 | GLN | ARG | ASP | ARG | ILE | ASP | ARG | LEU | LYS | ALA | ||||
| 12 | ALA | GLY | PHE | SER | GLY | TYR | LEU | ILE | LYS | PRO | ||||
| 13 | LEU | ARG | ALA | ALA | SER | LEU | VAL | ALA | GLN | VAL | ||||
| 14 | LEU | GLN | ALA | VAL | THR | ALA | ASP | GLY | VAL | ALA | ||||
| 15 | GLU | ASP | GLU | PRO | ALA | HIS | ASP | ASP | ARG | ILE | ||||
| 16 | ALA |
Samples:
sample_1: ShkA-Rec1, [U-99% 13C; U-99% 15N], 0.95 mM; TRIS 25 mM; potassium chloride 50 mM; magnesium sulfate 2 mM
sample_conditions_1: ionic strength: 78 mM; 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 |
Software:
CARA, Rochus Keller - chemical shift assignment
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