Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR17009
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Citation: Brown, Breann; Wood, Thomas; Peti, Wolfgang; Page, Rebecca. "Structure of the Escherichia coli Antitoxin MqsA (YgiT/b3021) Bound to Its Gene Promoter Reveals Extensive Domain Rearrangements and the Specificity of Transcriptional Regulation." J. Biol. Chem. 286, 2285-2296 (2011).
Assembly members:
mqsa_c, polymer, 73 residues, Formula weight is not available
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):
mqsa_c: GHMASVNAETVAPEFIVKVR
KKLSLTQKEASEIFGGGVNA
FSRYEKGNAQPHPSTIKLLR
VLDKHPELLNEIR
| Data type | Count |
| 13C chemical shifts | 288 |
| 15N chemical shifts | 65 |
| 1H chemical shifts | 65 |
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | mqsa cterm | 1 |
Entity 1, mqsa cterm 73 residues - Formula weight is not available
GHM cloning artifacts; Alanine is residue 62 of MqsA
| 1 | GLY | HIS | MET | ALA | SER | VAL | ASN | ALA | GLU | THR | ||||
| 2 | VAL | ALA | PRO | GLU | PHE | ILE | VAL | LYS | VAL | ARG | ||||
| 3 | LYS | LYS | LEU | SER | LEU | THR | GLN | LYS | GLU | ALA | ||||
| 4 | SER | GLU | ILE | PHE | GLY | GLY | GLY | VAL | ASN | ALA | ||||
| 5 | PHE | SER | ARG | TYR | GLU | LYS | GLY | ASN | ALA | GLN | ||||
| 6 | PRO | HIS | PRO | SER | THR | ILE | LYS | LEU | LEU | ARG | ||||
| 7 | VAL | LEU | ASP | LYS | HIS | PRO | GLU | LEU | LEU | ASN | ||||
| 8 | GLU | ILE | ARG |
sample_1: mqsa_c, [U-99% 15N], 0.5 mM; sodium chloride 50 mM; TRIS 10 mM; H2O 90%; D2O 10%
sample_2: mqsa_c, [U-99% 13C; U-99% 15N], 0.5 mM; sodium chloride 50 mM; TRIS 10 mM; H2O 90%; D2O 10%
sample_conditions_1: ionic strength: 60 mM; pH: 7.0; pressure: 1 atm; temperature: 293 K
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_2 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_2 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_2 | isotropic | sample_conditions_1 |
| 3D C(CO)NH | sample_2 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_2 | isotropic | sample_conditions_1 |
TOPSPIN v2.1, Bruker Biospin - collection, processing
XEASY v1.8.2, Keller and Wuthrich - chemical shift assignment, peak picking
| BMRB | 15446 |
| PDB | |
| DBJ | BAE77077 BAJ44773 BAL39680 |
| EMBL | CAQ33360 CAR14662 CAR19632 CBJ02792 CCJ45634 |
| GB | AAA69189 AAC76057 ABV07432 ACA76352 ACB04106 |
| REF | NP_417493 WP_000650107 WP_001487520 WP_021572968 WP_044814339 |
| SP | Q46864 |
| AlphaFold | Q46864 |
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated peaks
SPARKY: Backbone
or all simulated peaks