BMRB Entry 18651
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Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR18651
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Title: 13C and 15N chemical shifts for Shigella Flexneri MxiH Type three secretion system needle subunit PubMed: 23555258
Deposition date: 2012-08-08 Original release date: 2013-02-14
Authors: Demers, Jean-Philippe; Sgourakis, Nikolaos; Gupta, Rashmi; Loquet, Antoine; Giller, Karin; Riedel, Dietmar; Laube, Britta; Kolbe, Michael; Baker, David; Becker, Stefan; Lange, Adam
Citation: Demers, Jean-Philippe; Sgourakis, Nikolaos; Gupta, Rashmi; Loquet, Antoine; Giller, Karin; Riedel, Dietmar; Laube, Britta; Kolbe, Michael; Baker, David; Becker, Stefan; Lange, Adam. "The Common Structural Architecture of Shigella flexneri and Salmonella typhimurium Type Three Secretion Needles" PLoS Pathog. 9, e1003245-e1003245 (2013).
Assembly members:
MxiH, polymer, 85 residues, 9389.3 Da.
Natural source: Common Name: Shigella flexneri Taxonomy ID: 424719 Superkingdom: Bacteria Kingdom: not available Genus/species: Shigella flexneri
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
MxiH: GHMSVTVPDKDWTLSSLSET
FDDGTQTLQGQLTSALNALA
ENPSNPQLLAEYQSKLSEYT
LYRNAQSNTVKVIKDVDAAI
IQNFR
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 387 |
| 15N chemical shifts | 100 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | MxiH needle | 1 |
Entities:
Entity 1, MxiH needle 85 residues - 9389.3 Da.
The sequence employed in this study is found in S. flexneri serotype 6. After protease cleavage of the N-terminal His tag, the released MxiH protein contains the non-native N-terminal residues glycine and histidine.
| 1 | GLY | HIS | MET | SER | VAL | THR | VAL | PRO | ASP | LYS | ||||
| 2 | ASP | TRP | THR | LEU | SER | SER | LEU | SER | GLU | THR | ||||
| 3 | PHE | ASP | ASP | GLY | THR | GLN | THR | LEU | GLN | GLY | ||||
| 4 | GLN | LEU | THR | SER | ALA | LEU | ASN | ALA | LEU | ALA | ||||
| 5 | GLU | ASN | PRO | SER | ASN | PRO | GLN | LEU | LEU | ALA | ||||
| 6 | GLU | TYR | GLN | SER | LYS | LEU | SER | GLU | TYR | THR | ||||
| 7 | LEU | TYR | ARG | ASN | ALA | GLN | SER | ASN | THR | VAL | ||||
| 8 | LYS | VAL | ILE | LYS | ASP | VAL | ASP | ALA | ALA | ILE | ||||
| 9 | ILE | GLN | ASN | PHE | ARG |
Samples:
sample_1: MxiH, [U-100% 13C; U-100% 15N], 20 mg
sample_conditions_1: pH: 5.5; pressure: 1 atm; temperature: 278 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 13C-13C (PDSD) | sample_1 | solid | sample_conditions_1 |
| 15N-13C (Specific-CP) | sample_1 | solid | sample_conditions_1 |
Software:
SPARKY, Goddard - data analysis
NMR spectrometers:
- Bruker Avance 850 MHz
Related Database Links:
| UNP | Q6XVY0_SHIFL |
| PDB | |
| GB | AAP79000 ACD06130 KHQ70608 KIZ60406 |
| REF | WP_012421721 WP_032324888 WP_039064401 WP_046891853 WP_047204460 |