BMRB Entry 30417
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR30417
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Title: NMR Structure of Salmonella Type III Secretion system protein OrgC PubMed: 30015613
Deposition date: 2018-02-26 Original release date: 2018-07-24
Authors: Dey, S.; De Guzman, R.
Citation: Kato, Junya; Dey, Supratim; Soto, Jose; Butan, Carmen; Wilkinson, Mason; De Guzman, Roberto; Galan, Jorge. "A protein secreted by the Salmonella type III secretion system controls needle filament assembly" Elife 7, e35886-e35886 (2018).
Assembly members:
entity_1, polymer, 131 residues, 14293.888 Da.
Natural source: Common Name: Salmonella enterica Taxonomy ID: 59201 Superkingdom: Bacteria Kingdom: not available Genus/species: Salmonella enterica
Experimental source: Production method: recombinant technology Host organism: Escherichia coli BL21(DE3)
Entity Sequences (FASTA):
entity_1: GHMVSLSARAAMLNNMDSAP
LSNGGDVDLYDAFYQRLLAL
PESASSETLKDSIYQEMNAF
KDPNSGDSAFVSFEQQTAML
QNMLAKVEPGTHLYEALNGV
LVGSMNAQSQMTSWMQEIIL
SGGENKEAIDW
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 238 |
| 15N chemical shifts | 123 |
| 1H chemical shifts | 245 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 131 residues - 14293.888 Da.
| 1 | GLY | HIS | MET | VAL | SER | LEU | SER | ALA | ARG | ALA | ||||
| 2 | ALA | MET | LEU | ASN | ASN | MET | ASP | SER | ALA | PRO | ||||
| 3 | LEU | SER | ASN | GLY | GLY | ASP | VAL | ASP | LEU | TYR | ||||
| 4 | ASP | ALA | PHE | TYR | GLN | ARG | LEU | LEU | ALA | LEU | ||||
| 5 | PRO | GLU | SER | ALA | SER | SER | GLU | THR | LEU | LYS | ||||
| 6 | ASP | SER | ILE | TYR | GLN | GLU | MET | ASN | ALA | PHE | ||||
| 7 | LYS | ASP | PRO | ASN | SER | GLY | ASP | SER | ALA | PHE | ||||
| 8 | VAL | SER | PHE | GLU | GLN | GLN | THR | ALA | MET | LEU | ||||
| 9 | GLN | ASN | MET | LEU | ALA | LYS | VAL | GLU | PRO | GLY | ||||
| 10 | THR | HIS | LEU | TYR | GLU | ALA | LEU | ASN | GLY | VAL | ||||
| 11 | LEU | VAL | GLY | SER | MET | ASN | ALA | GLN | SER | GLN | ||||
| 12 | MET | THR | SER | TRP | MET | GLN | GLU | ILE | ILE | LEU | ||||
| 13 | SER | GLY | GLY | GLU | ASN | LYS | GLU | ALA | ILE | ASP | ||||
| 14 | TRP |
Samples:
sample_1: OrgC, [U-99% 15N], 1.2 mM; OrgC, [U-13C; U-15N], 1.2 mM; OrgC, [U-13C], 1.2 mM; MES 2 mM; NaCl 75 mM
sample_conditions_1: ionic strength: 75 mM; pH: 6.5 pH*; pressure: 1 mbar; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| HMQC NOESY | sample_1 | isotropic | sample_conditions_1 |
| HSQC NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
AMBER, Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman - refinement
CYANA, Guntert, Mumenthaler and Wuthrich - structure calculation
NMRView, Johnson, One Moon Scientific - chemical shift assignment, peak picking
NMR spectrometers:
- Bruker Avance 800 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts