BMRB Entry 26546
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR26546
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Title: Type III Secretion Protein PubMed: 25994170
Deposition date: 2015-03-20 Original release date: 2015-05-22
Authors: Notti, Ryan; Bhattacharya, Shibani; Stebbins, Charles
Citation: Notti, Ryan; Bhattacharya, Shibani; Lilic, Mirjana; Stebbins, Charles. "A common assembly module in injectisome and flagellar type III secretion sorting platforms" Nat. Commun. 6, 7125-7125 (2015).
Assembly members:
SpaO, polymer, 162 residues, Formula weight is not available
OrgB, polymer, 33 residues, Formula weight is not available
Thioredoxin, polymer, 118 residues, Formula weight is not available
Natural source: Common Name: Salmonella enterica Taxonomy ID: 28901 Superkingdom: Bacteria Kingdom: not available Genus/species: Salmonella enterica
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
SpaO: GPVDVGGGRPKMLRWPLRFV
IGSSDTQRSLLGRIGIGDVL
LIRTSRAEVYCYAKKLGHFN
RVEGGIIVETLDIQHIEEEN
NTTETAETLPGLNQLPVKLE
FVLYRKNVTLAELEAMGQQQ
LLSLPTNAELNVEIMANGVL
LGNGELVQMNDTLGVEIHEW
LS
OrgB: GPRSLKNIPIPSPLSPVEGI
LIKRKTLERYFSI
Thioredoxin: GPVDMVKQIESKTAFQEALD
AAGDKLVVVDFSATWCGPCK
MIKPFFHSLSEKYSNVIFLE
VDVDDCQDVASECEVKCMPT
FQFFKKGQKVGEFSGANKEK
LEATINELVGGSLEVLFQ
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 432 |
| 15N chemical shifts | 151 |
| 1H chemical shifts | 151 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | SpaO | 1 |
| 2 | OrgB | 2 |
| 3 | Thioredoxin | 3 |
Entities:
Entity 1, SpaO 162 residues - Formula weight is not available
| 1 | GLY | PRO | VAL | ASP | VAL | GLY | GLY | GLY | ARG | PRO | ||||
| 2 | LYS | MET | LEU | ARG | TRP | PRO | LEU | ARG | PHE | VAL | ||||
| 3 | ILE | GLY | SER | SER | ASP | THR | GLN | ARG | SER | LEU | ||||
| 4 | LEU | GLY | ARG | ILE | GLY | ILE | GLY | ASP | VAL | LEU | ||||
| 5 | LEU | ILE | ARG | THR | SER | ARG | ALA | GLU | VAL | TYR | ||||
| 6 | CYS | TYR | ALA | LYS | LYS | LEU | GLY | HIS | PHE | ASN | ||||
| 7 | ARG | VAL | GLU | GLY | GLY | ILE | ILE | VAL | GLU | THR | ||||
| 8 | LEU | ASP | ILE | GLN | HIS | ILE | GLU | GLU | GLU | ASN | ||||
| 9 | ASN | THR | THR | GLU | THR | ALA | GLU | THR | LEU | PRO | ||||
| 10 | GLY | LEU | ASN | GLN | LEU | PRO | VAL | LYS | LEU | GLU | ||||
| 11 | PHE | VAL | LEU | TYR | ARG | LYS | ASN | VAL | THR | LEU | ||||
| 12 | ALA | GLU | LEU | GLU | ALA | MET | GLY | GLN | GLN | GLN | ||||
| 13 | LEU | LEU | SER | LEU | PRO | THR | ASN | ALA | GLU | LEU | ||||
| 14 | ASN | VAL | GLU | ILE | MET | ALA | ASN | GLY | VAL | LEU | ||||
| 15 | LEU | GLY | ASN | GLY | GLU | LEU | VAL | GLN | MET | ASN | ||||
| 16 | ASP | THR | LEU | GLY | VAL | GLU | ILE | HIS | GLU | TRP | ||||
| 17 | LEU | SER |
Entity 2, OrgB 33 residues - Formula weight is not available
| 1 | GLY | PRO | ARG | SER | LEU | LYS | ASN | ILE | PRO | ILE | ||||
| 2 | PRO | SER | PRO | LEU | SER | PRO | VAL | GLU | GLY | ILE | ||||
| 3 | LEU | ILE | LYS | ARG | LYS | THR | LEU | GLU | ARG | TYR | ||||
| 4 | PHE | SER | ILE |
Entity 3, Thioredoxin 118 residues - Formula weight is not available
| 1 | GLY | PRO | VAL | ASP | MET | VAL | LYS | GLN | ILE | GLU | ||||
| 2 | SER | LYS | THR | ALA | PHE | GLN | GLU | ALA | LEU | ASP | ||||
| 3 | ALA | ALA | GLY | ASP | LYS | LEU | VAL | VAL | VAL | ASP | ||||
| 4 | PHE | SER | ALA | THR | TRP | CYS | GLY | PRO | CYS | LYS | ||||
| 5 | MET | ILE | LYS | PRO | PHE | PHE | HIS | SER | LEU | SER | ||||
| 6 | GLU | LYS | TYR | SER | ASN | VAL | ILE | PHE | LEU | GLU | ||||
| 7 | VAL | ASP | VAL | ASP | ASP | CYS | GLN | ASP | VAL | ALA | ||||
| 8 | SER | GLU | CYS | GLU | VAL | LYS | CYS | MET | PRO | THR | ||||
| 9 | PHE | GLN | PHE | PHE | LYS | LYS | GLY | GLN | LYS | VAL | ||||
| 10 | GLY | GLU | PHE | SER | GLY | ALA | ASN | LYS | GLU | LYS | ||||
| 11 | LEU | GLU | ALA | THR | ILE | ASN | GLU | LEU | VAL | GLY | ||||
| 12 | GLY | SER | LEU | GLU | VAL | LEU | PHE | GLN |
Samples:
sample_1: SpaO, [U-13C; U-15N], 0.2 mM; OrgB 0.2 mM; Thioredoxin mM; Sodium Citrate 10 mM; sodium chloride 100 mM; DTT 2 mM
sample_condition_1: pH: 5.6; pressure: 1 atm; temperature: 303 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_condition_1 |
| 3D HNCO | sample_1 | isotropic | sample_condition_1 |
| 3D HNCACB | sample_1 | isotropic | sample_condition_1 |
| 3D HNCA | sample_1 | isotropic | sample_condition_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_condition_1 |
| 3D HNCA | sample_1 | isotropic | sample_condition_1 |
| 3D HN(CO)CA | sample_1 | isotropic | sample_condition_1 |
| 3D HN(CA)CO | sample_1 | isotropic | sample_condition_1 |
Software:
TOPSPIN v2.1, Bruker Biospin - collection, processing
CARA v1.5, Keller and Wuthrich - data analysis
NMR spectrometers:
- Bruker Avance 900 MHz
- Bruker Avance 800 MHz
- Bruker Avance 600 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts