BMRB Entry 16490
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR16490
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Title: Solution structure of protein sf3929 from Shigella flexneri 2a. Northeast Structural Genomics Consortium target SfR81/Ontario Center for Structural Proteomics Target sf3929
Deposition date: 2009-09-10 Original release date: 2009-10-06
Authors: Wu, Bin; Yee, Adelinda; Fares, Christophe; Lemak, Alexander; Semest, Anthony; Arrowsmith, Cheryl
Citation: Wu, Bin; Yee, Adelinda; Fares, Christophe; Lemak, Alexander; Semest, Anthony; Arrowsmith, Cheryl. "Solution Structure of protein sf3929 from Shigella flexneri 2a. Northeast Structural Genomics Consortium target SfR81/Ontario Center for Structural Proteomics Target sf3929" Not known ., .-..
Assembly members:
sf3929, polymer, 89 residues, 10322.015 Da.
Natural source: Common Name: shigella flexneri 2a Taxonomy ID: 42897 Superkingdom: Bacteria Kingdom: not available Genus/species: Shigella flexneri
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
sf3929: MKCKRLNEVIELLQPAWQKE
PDFNLLQFLQKLAKESGFDG
ELADLTDDILIYHLKMRDSA
KDAVIPGLQKDYEEDFKTAL
LRARGVIKE
- assigned_chemical_shifts
- spectral_peak_list
| Data type | Count |
| 13C chemical shifts | 369 |
| 15N chemical shifts | 88 |
| 1H chemical shifts | 612 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | sf3929 | 1 |
Entities:
Entity 1, sf3929 89 residues - 10322.015 Da.
| 1 | MET | LYS | CYS | LYS | ARG | LEU | ASN | GLU | VAL | ILE | ||||
| 2 | GLU | LEU | LEU | GLN | PRO | ALA | TRP | GLN | LYS | GLU | ||||
| 3 | PRO | ASP | PHE | ASN | LEU | LEU | GLN | PHE | LEU | GLN | ||||
| 4 | LYS | LEU | ALA | LYS | GLU | SER | GLY | PHE | ASP | GLY | ||||
| 5 | GLU | LEU | ALA | ASP | LEU | THR | ASP | ASP | ILE | LEU | ||||
| 6 | ILE | TYR | HIS | LEU | LYS | MET | ARG | ASP | SER | ALA | ||||
| 7 | LYS | ASP | ALA | VAL | ILE | PRO | GLY | LEU | GLN | LYS | ||||
| 8 | ASP | TYR | GLU | GLU | ASP | PHE | LYS | THR | ALA | LEU | ||||
| 9 | LEU | ARG | ALA | ARG | GLY | VAL | ILE | LYS | GLU |
Samples:
sample_1: sf3929, [U-100% 13C; U-100% 15N], 0.5 mM; TRIS, [U-100% 2H], 10 mM; sodium chloride 300 mM; zinc sulphate 10 uM; DTT, [U-100% 2H], 10 mM; benzamidine 10 mM; inhibitor cocktail 1 x; H2O 90%; D2O 10%
sample_conditions_1: ionic strength: 300 mM; pH: 7; pressure: 1 atm; temperature: 308 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 C(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D H(CCO)NH | 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 aromatic | sample_1 | isotropic | sample_conditions_1 |
Software:
MDDGUI v1.0, Gutmanas and Arrowsmith - processing
SPARKY v3.95, Goddard - data analysis, peak picking
FAWN v1.0, Lemak and Arrowsmith - chemical shift assignment
CYANA v2.1, 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
NMRPipe v2.3, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
NMR spectrometers:
- Bruker Avance 600 MHz
- Bruker Avance 800 MHz
Related Database Links:
| PDB | |
| DBJ | BAB38204 BAE77450 BAG79663 BAI27894 BAI33017 |
| EMBL | CAP78316 CAQ34210 CAQ91090 CAR00828 CAR05492 |
| GB | AAB02993 AAC76856 AAG59047 AAN45364 AAN83233 |
| REF | NP_312808 NP_418295 NP_709657 WP_001295263 WP_001329922 |
| SP | P0ADP9 P0ADQ0 P0ADQ1 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts