BMRB Entry 18214
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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/BMR18214
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Title: Solution NMR structure of TSTM1273 from Salmonella typhimurium LT2, NESG target STT322, CSGID target IDP01027 and OCSP target TSTM1273
Deposition date: 2012-01-24 Original release date: 2012-03-19
Authors: Wu, Bin; Yee, Adelinda; Houliston, Scott; Garcia, Maite; Savchenko, Alexei; Arrowsmith, Cheryl
Citation: Wu, Bin; Yee, Adelinda; Houliston, Scott; Garcia, Maite; Savchenko, Alexei; Arrowsmith, Cheryl. "Solution NMR structure of TSTM1273 from Salmonella typhimurium LT2, NESG target STT322, CSGID target IDP01027 and OCSP target TSTM1273" Not known ., .-..
Assembly members:
tstm1273, polymer, 63 residues, 7090.189 Da.
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):
tstm1273: MSRMDNTELPHPKEIDNETL
LPAAERRVNSQALLGPDGKV
IIDHNGQEYLLRKTQAGKLL
LTK
- assigned_chemical_shifts
- spectral_peak_list
| Data type | Count |
| 13C chemical shifts | 259 |
| 15N chemical shifts | 61 |
| 1H chemical shifts | 441 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | tstm1273 | 1 |
Entities:
Entity 1, tstm1273 63 residues - 7090.189 Da.
| 1 | MET | SER | ARG | MET | ASP | ASN | THR | GLU | LEU | PRO | ||||
| 2 | HIS | PRO | LYS | GLU | ILE | ASP | ASN | GLU | THR | LEU | ||||
| 3 | LEU | PRO | ALA | ALA | GLU | ARG | ARG | VAL | ASN | SER | ||||
| 4 | GLN | ALA | LEU | LEU | GLY | PRO | ASP | GLY | LYS | VAL | ||||
| 5 | ILE | ILE | ASP | HIS | ASN | GLY | GLN | GLU | TYR | LEU | ||||
| 6 | LEU | ARG | LYS | THR | GLN | ALA | GLY | LYS | LEU | LEU | ||||
| 7 | LEU | THR | LYS |
Samples:
sample_1: tstm1273, [U-100% 13C; U-100% 15N], 0.3 mM; TRIS, [U-100% 2H], 10 mM; sodium chloride 300 mM; DTT, [U-100% 2H], 10 mM; NaN3 0.01%; benzamidine 10 mM; inhibitor cocktail 1 x
sample_2: tstm1273, [U-100% 13C; U-100% 15N], 0.3 mM; TRIS, [U-100% 2H], 10 mM; sodium chloride 300 mM; DTT, [U-100% 2H], 10 mM; NaN3 0.01%; benzamidine 10 mM; inhibitor cocktail 1 x
sample_3: tstm1273, [U-7% 13C; U-100% 15N], 0.2 mM; TRIS, [U-100% 2H], 10 mM; sodium chloride 300 mM; DTT, [U-100% 2H], 10 mM; NaN3 0.01%; benzamidine 10 mM; inhibitor cocktail 1 x
sample_conditions_1: ionic strength: 300 mM; pH: 7.0; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 3D HNCO | 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 HNCA | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D CCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY | sample_2 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aromatic | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_3 | isotropic | sample_conditions_1 |
Software:
NMRPipe v2.3, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
MDDGUI v1.0, Gutmanas, Arrowsmith - processing
SPARKY v3.95, Goddard - data analysis
FMCGUI v2.4, Lemak, Arrowsmith - chemical shift assignment
CYANA v3.0, Guntert, Mumenthaler and Wuthrich - structure solution
CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinement
AutoStruct, Huang, Tejero, Powers and Montelione - NMR structure quality assessment
PSVS, Bhattacharya and Montelione - NMR structure quality assessment
FAWN, Lemak, Arrowsmith - chemical shift assignment
NMR spectrometers:
- Bruker Avance 600 MHz
- Bruker Avance 800 MHz
Related Database Links:
| PDB | |
| DBJ | BAJ36305 BAP07199 |
| EMBL | CAD02006 CAR33280 CAR37628 CAR59568 CBG24365 |
| GB | AAL20271 AAO68882 AAV77430 AAX65271 ABX21515 |
| PIR | AE0704 |
| REF | NP_456165 NP_460312 WP_000089115 WP_000089116 WP_000089117 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts