BMRB Entry 18917
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR18917
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Title: Solution NMR structure of the N-terminal domain of STM1478 from Salmonella typhimurium LT2: Target STR147A of the Northeast Structural Genomics consortium (NESG), and APC101565 of the Midwest Center for Structural Genomics (MCSG).
Deposition date: 2012-12-21 Original release date: 2013-02-15
Authors: Houliston, Scott; Yee, Adelinda; Lemak, Alexander; Garcia, Maite; Wu, Bin; Savchenko, Alexei; Arrowsmith, Cheryl
Citation: Houliston, Scott; Yee, Adelinda; Lemak, Alexander; Garcia, Maite; Wu, Bin; Savchenko, Alexei; Arrowsmith, Cheryl. "NMR solution structure of the N-terminal STM1478, from Salmonella typhimurium LT2" Not known ., .-..
Assembly members:
entity, polymer, 92 residues, 7611.469 Da.
Natural source: Common Name: Salmonella typhimurium Taxonomy ID: 90371 Superkingdom: Bacteria Kingdom: not available Genus/species: Salmonella typhimurium
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
entity: MGSSHHHHHHSSGRENLYFQ
GHAATELTPEQAAALKPYDR
IVITGRFNAIGDAVSAVSRR
ADEEGAASFYVVDTSEFGNS
GNWRVVADVYKA
- assigned_chemical_shifts
- spectral_peak_list
| Data type | Count |
| 13C chemical shifts | 262 |
| 15N chemical shifts | 67 |
| 1H chemical shifts | 422 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | tstm1395 | 1 |
Entities:
Entity 1, tstm1395 92 residues - 7611.469 Da.
| 1 | MET | GLY | SER | SER | HIS | HIS | HIS | HIS | HIS | HIS | ||||
| 2 | SER | SER | GLY | ARG | GLU | ASN | LEU | TYR | PHE | GLN | ||||
| 3 | GLY | HIS | ALA | ALA | THR | GLU | LEU | THR | PRO | GLU | ||||
| 4 | GLN | ALA | ALA | ALA | LEU | LYS | PRO | TYR | ASP | ARG | ||||
| 5 | ILE | VAL | ILE | THR | GLY | ARG | PHE | ASN | ALA | ILE | ||||
| 6 | GLY | ASP | ALA | VAL | SER | ALA | VAL | SER | ARG | ARG | ||||
| 7 | ALA | ASP | GLU | GLU | GLY | ALA | ALA | SER | PHE | TYR | ||||
| 8 | VAL | VAL | ASP | THR | SER | GLU | PHE | GLY | ASN | SER | ||||
| 9 | GLY | ASN | TRP | ARG | VAL | VAL | ALA | ASP | VAL | TYR | ||||
| 10 | LYS | ALA |
Samples:
sample_1: entity, [U-13C; U-15N], 0.5 mM; BIS-TRIS 10 mM; sodium chloride 200 mM; ZnSO4 10 uM; DTT 10 mM; benzamidine 1 mM
sample_conditions_1: ionic strength: 200 mM; pH: 6.5; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HBHA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D (H)CCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aliphatic | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aromatic | sample_1 | isotropic | sample_conditions_1 |
Software:
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
SPARKY, Goddard - peak picking
FMC, Lemak,Steren,Llinas, Arrowsmith - chemical shift assignment
TALOS, Cornilescu, Delaglio and Bax - data analysis
PSVS, Bhattacharya and Montelione - validation
CYANA, Guntert, Mumenthaler and Wuthrich - structure solution
CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinement
NMR spectrometers:
- 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