BMRB Entry 18276
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR18276
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Title: 1H, 13C and 15N chemical shifts for Salmonella Typhimurium PrgI Type three secretion system needle subunit PubMed: 21401039
Deposition date: 2012-02-18 Original release date: 2012-03-23
Authors: Loquet, Antoine; Lv, Guohua; Giller, Karin; Becker, Stefan; Lange, Adam
Citation: Loquet, Antoine; Lv, Guohua; Giller, Karin; Becker, Stefan; Lange, Adam. "13C spin dilution for simplified and complete solid-state NMR resonance assignment of insoluble biological assemblies" J. Am. Chem. Soc. 133, 4722-4725 (2011).
Assembly members:
PrgI, polymer, 80 residues, Formula weight is not available
Natural source: Common Name: Salmonella enterica Taxonomy ID: 28901 Superkingdom: Bacteria Kingdom: not available Genus/species: Salmonella Salmonella enterica
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
PrgI: MATPWSGYLDDVSAKFDTGV
DNLQTQVTEALDKLAAKPSD
PALLAAYQSKLSEYNLYRNA
QSNTVKVFKDIDAAIIQNFR
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 380 |
| 15N chemical shifts | 85 |
| 1H chemical shifts | 74 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | PrgI needle | 1 |
Entities:
Entity 1, PrgI needle 80 residues - Formula weight is not available
| 1 | MET | ALA | THR | PRO | TRP | SER | GLY | TYR | LEU | ASP | |
| 2 | ASP | VAL | SER | ALA | LYS | PHE | ASP | THR | GLY | VAL | |
| 3 | ASP | ASN | LEU | GLN | THR | GLN | VAL | THR | GLU | ALA | |
| 4 | LEU | ASP | LYS | LEU | ALA | ALA | LYS | PRO | SER | ASP | |
| 5 | PRO | ALA | LEU | LEU | ALA | ALA | TYR | GLN | SER | LYS | |
| 6 | LEU | SER | GLU | TYR | ASN | LEU | TYR | ARG | ASN | ALA | |
| 7 | GLN | SER | ASN | THR | VAL | LYS | VAL | PHE | LYS | ASP | |
| 8 | ILE | ASP | ALA | ALA | ILE | ILE | GLN | ASN | PHE | ARG |
Samples:
sample_1: PrgI, [U-100% 13C; U-100% 15N], 10 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:
| BMRB | 16770 |
| PDB | |
| DBJ | BAJ37865 BAP08778 |
| EMBL | CAR34293 CAR38585 CBG25842 CBW18951 CBY97043 |
| GB | AAB60189 AAL21753 AAX49613 AAX66711 ABX68915 |
| REF | NP_461794 WP_000235228 WP_001143113 WP_001527993 WP_023259990 |
| SP | P41784 |
Download simulated HSQC data in one of the following formats:
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SPARKY: Backbone
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