BMRB Entry 50781
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR50781
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Title: Backbone 1H, 13C, and 15N chemical shift assignments for ClpX residues 1-55 PubMed: 34974059
Deposition date: 2021-02-19 Original release date: 2022-04-15
Authors: Vos, Margaret; Peti, Wolfgang; Page, Rebecca
Citation: Vos, Margaret; Piraino, Benjamin; LaBreck, Christopher; Rahmani, Negar; Trebino, Catherine; Schoenle, Marta; Peti, Wolfgang; Camberg, Jodi; Page, Rebecca. "Degradation of the E. coli antitoxin MqsA by the proteolytic complex ClpXP is regulated by zinc occupancy and oxidation" J. Biol. Chem. 298, 101557-101557 (2022).
Assembly members:
entity_1, polymer, 57 residues, Formula weight is not available
entity_ZN, non-polymer, 65.409 Da.
Natural source: Common Name: E. coli Taxonomy ID: 562 Superkingdom: Bacteria Kingdom: not available Genus/species: Escherichia coli
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: RP1B
Entity Sequences (FASTA):
entity_1: GHMTDKRKDGSGKLLYCSFC
GKSQHEVRKLIAGPSVYICD
ECVDLCNDIIREEIKEV
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 111 |
| 15N chemical shifts | 53 |
| 1H chemical shifts | 53 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | ClpX Residues 1-55 Dimer, Chain 1 | 1 |
| 2 | ClpX Residues 1-55 Dimer, Chain 2 | 1 |
| 3 | Zinc Ion, 1 | 2 |
| 4 | Zinc Ion, 2 | 2 |
Entities:
Entity 1, ClpX Residues 1-55 Dimer, Chain 1 57 residues - Formula weight is not available
GH are a cloning artifacts; ClpX sequence starts with MTD
| 1 | GLY | HIS | MET | THR | ASP | LYS | ARG | LYS | ASP | GLY | ||||
| 2 | SER | GLY | LYS | LEU | LEU | TYR | CYS | SER | PHE | CYS | ||||
| 3 | GLY | LYS | SER | GLN | HIS | GLU | VAL | ARG | LYS | LEU | ||||
| 4 | ILE | ALA | GLY | PRO | SER | VAL | TYR | ILE | CYS | ASP | ||||
| 5 | GLU | CYS | VAL | ASP | LEU | CYS | ASN | ASP | ILE | ILE | ||||
| 6 | ARG | GLU | GLU | ILE | LYS | GLU | VAL |
Entity 2, Zinc Ion, 1 - Zn - 65.409 Da.
| 1 | ZN |
Samples:
sample_1: ClpX Residues 1-55, [U-99% 13C; U-99% 15N], 800 uM; TCEP 0.5 mM; sodium chloride 50 mM; sodium phosphate 20 mM; ZnSO4 500 uM
sample_2: ClpX Residues 1-55, [U-99% 15N], 200 uM; TCEP 0.5 mM; sodium chloride 50 mM; sodium phosphate 20 mM; ZnSO4 500 uM
sample_conditions_1: pH: 6.5; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_2 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(CO)CA | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCACONH | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(CA)CO | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCCONH | sample_1 | isotropic | sample_conditions_1 |
Software:
TOPSPIN v4.1.1 - collection, data analysis
CARA v1.9 - chemical shift assignment
NMR spectrometers:
- Bruker AVANCE NEO 600 MHz
Related Database Links:
| NCBI | P0A6H1 |
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts