BMRB Entry 50759
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR50759
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Title: Backbone resonance assignment of Phosphorylated C-terminal intracellular domain of Tir effector from Escherichia coli O127:H6 PubMed: 38351154
Deposition date: 2021-02-10 Original release date: 2024-02-14
Authors: Vieira, Marta
Citation: Vieira, Marta; Hernandez, Guillem; Zhong, Qiyun; Arbesu, Miguel; Veloso, Tiago; Gomes, Tiago; Martins, Maria; Monteiro, Hugo; Frazao, Carlos; Frankel, Gad; Zanzoni, Andreas; Cordeiro, Tiago. "The pathogen-encoded signalling receptor Tir exploits host-like intrinsic disorder for infection" Commun. Biol. 7, 179-179 (2024).
Assembly members:
entity_1, polymer, 173 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: pHTP8
Entity Sequences (FASTA):
entity_1: GPRRNQPAEQTTTTTTHTVV
QQQTGGNTPAQGGTDATRAE
DASLNRRDSQGSVASTHWSD
SSSEVVNPYAEVGGARNSLS
AHQPEEHIYDEVAADPGYSV
IQNFSGSGPVTGRLIGTPGQ
GIQSTYALLANSGGLRLGMG
GLTSGGESAVSSVNAAPTPG
PVRFVWSHPQFEK
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 482 |
| 15N chemical shifts | 160 |
| 1H chemical shifts | 160 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | pC-Tir | 1 |
Entities:
Entity 1, pC-Tir 173 residues - Formula weight is not available
N-Terminal: two residues (GP) from HRV-3C cleavage sequence C-Terminal: Streptag (WSHPQFEK) Phosphorylated tyrosine residues Y454, Y474, Y483 and Y511.
| 1 | GLY | PRO | ARG | ARG | ASN | GLN | PRO | ALA | GLU | GLN | ||||
| 2 | THR | THR | THR | THR | THR | THR | HIS | THR | VAL | VAL | ||||
| 3 | GLN | GLN | GLN | THR | GLY | GLY | ASN | THR | PRO | ALA | ||||
| 4 | GLN | GLY | GLY | THR | ASP | ALA | THR | ARG | ALA | GLU | ||||
| 5 | ASP | ALA | SER | LEU | ASN | ARG | ARG | ASP | SER | GLN | ||||
| 6 | GLY | SER | VAL | ALA | SER | THR | HIS | TRP | SER | ASP | ||||
| 7 | SER | SER | SER | GLU | VAL | VAL | ASN | PRO | PTR | ALA | ||||
| 8 | GLU | VAL | GLY | GLY | ALA | ARG | ASN | SER | LEU | SER | ||||
| 9 | ALA | HIS | GLN | PRO | GLU | GLU | HIS | ILE | PTR | ASP | ||||
| 10 | GLU | VAL | ALA | ALA | ASP | PRO | GLY | PTR | SER | VAL | ||||
| 11 | ILE | GLN | ASN | PHE | SER | GLY | SER | GLY | PRO | VAL | ||||
| 12 | THR | GLY | ARG | LEU | ILE | GLY | THR | PRO | GLY | GLN | ||||
| 13 | GLY | ILE | GLN | SER | THR | PTR | ALA | LEU | LEU | ALA | ||||
| 14 | ASN | SER | GLY | GLY | LEU | ARG | LEU | GLY | MET | GLY | ||||
| 15 | GLY | LEU | THR | SER | GLY | GLY | GLU | SER | ALA | VAL | ||||
| 16 | SER | SER | VAL | ASN | ALA | ALA | PRO | THR | PRO | GLY | ||||
| 17 | PRO | VAL | ARG | PHE | VAL | TRP | SER | HIS | PRO | GLN | ||||
| 18 | PHE | GLU | LYS |
Samples:
sample_1: Phosphorylated C-Tir, [U-13C; U-15N], 991.1 uM; D2O, [U-2H], 8 % v/v; sodium chloride 150 mM; HEPES 20 mM; magnesium chloride 12 mM; Adenosine triphosphate 5.5 mM; DSS 20 uM
sample_conditions_1: ionic strength: 150 mM; pH: 6.80; pressure: 1 atm; temperature: 283 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
Software:
CARA v1.9.1 - chemical shift assignment, data analysis
TOPSPIN - NMR data acquisition and spectra processing
NMR spectrometers:
- Bruker Avance 800 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts