BMRB Entry 50784
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR50784
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Title: MqsA residues 1-76 PubMed: 34974059
Deposition date: 2021-02-20 Original release date: 2022-04-15
Authors: Schoenle, Marta; 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, 78 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: GHMKCPVCHQGEMVSGIKDI
PYTFRGRKTVLKGIHGLYCV
HCEESIMNKEESDAFMAQVK
AFRASVNAETVAPEFIVK
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 133 |
| 15N chemical shifts | 69 |
| 1H chemical shifts | 69 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | MqsA N-terminal Domain | 1 |
| 2 | Zinc | 2 |
Entities:
Entity 1, MqsA N-terminal Domain 78 residues - Formula weight is not available
GH are cloning artifacts; MqsA sequence starts with MKC
| 1 | GLY | HIS | MET | LYS | CYS | PRO | VAL | CYS | HIS | GLN | ||||
| 2 | GLY | GLU | MET | VAL | SER | GLY | ILE | LYS | ASP | ILE | ||||
| 3 | PRO | TYR | THR | PHE | ARG | GLY | ARG | LYS | THR | VAL | ||||
| 4 | LEU | LYS | GLY | ILE | HIS | GLY | LEU | TYR | CYS | VAL | ||||
| 5 | HIS | CYS | GLU | GLU | SER | ILE | MET | ASN | LYS | GLU | ||||
| 6 | GLU | SER | ASP | ALA | PHE | MET | ALA | GLN | VAL | LYS | ||||
| 7 | ALA | PHE | ARG | ALA | SER | VAL | ASN | ALA | GLU | THR | ||||
| 8 | VAL | ALA | PRO | GLU | PHE | ILE | VAL | LYS |
Entity 2, Zinc - Zn - 65.409 Da.
| 1 | ZN |
Samples:
sample_1: MqsA Residues 1-76, [U-99% 15N], 465 uM; sodium phosphate 20 mM; sodium chloride 50 mM; TCEP 0.5 mM
sample_2: MqsA Residues 1-76, [U-99% 13C; U-99% 15N], 650 uM; sodium phosphate 20 mM; sodium chloride 50 mM; TCEP 0.5 mM
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_2 | isotropic | sample_conditions_1 |
| 3D HN(CO)CA | sample_2 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_2 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_2 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | 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 800 MHz
Related Database Links:
| NCBI | Q46864 |
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts