BMRB Entry 16030
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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/BMR16030
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Title: Solution structure of protein BPP2914 from Bordetella parapertussis. Northeast Structural Genomics Consortium target BpR206
Deposition date: 2008-11-14 Original release date: 2009-03-05
Authors: Wu, Yibing; Mills, Jeffrey; Wang, Dongyan; Jiang, Mei; Foote, Erica; Xiao, Rong; Sathyamoorthy, Bharathwaj; Sukumaran, Dinesh; Nair, Rajesh; Everett, John; Swapna, G.V.T; Acton, Thomas; Rost, Burkhard; Montelione, Gaetano; Szyperski, Thomas
Citation: Wu, Yibing; Mills, Jeffrey; Wang, Dongyan; Jiang, Mei; Foote, Erica; Xiao, Rong; Sathyamoorthy, Bharathwaj; Sukumaran, Dinesh; Nair, Rajesh; Everett, John; Swapna, G.V.T; Acton, Thomas; Rost, Burkhard; Montelione, Gaetano; Szyperski, Thomas. "Solution structure of protein BPP2914 from Bordetella parapertussis. Northeast Structural Genomics Consortium target BpR206" Not known ., .-..
Assembly members:
BPP, polymer, 115 residues, 13089.824 Da.
Natural source: Common Name: E. coli Taxonomy ID: 562 Superkingdom: Eubacteria Kingdom: not available Genus/species: Escherichia coli
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
BPP: MQAITERLEAMLAQGTDNML
LRFTLGKTYAEHEQFDAALP
HLRAALDFDPTYSVAWKWLG
KTLQGQGDRAGARQAWESGL
AAAQSRGDQQVVKELQVFLR
RLAREDALEHHHHHH
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 376 |
| 15N chemical shifts | 125 |
| 1H chemical shifts | 797 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | BPP | 1 |
Entities:
Entity 1, BPP 115 residues - 13089.824 Da.
| 1 | MET | GLN | ALA | ILE | THR | GLU | ARG | LEU | GLU | ALA | ||||
| 2 | MET | LEU | ALA | GLN | GLY | THR | ASP | ASN | MET | LEU | ||||
| 3 | LEU | ARG | PHE | THR | LEU | GLY | LYS | THR | TYR | ALA | ||||
| 4 | GLU | HIS | GLU | GLN | PHE | ASP | ALA | ALA | LEU | PRO | ||||
| 5 | HIS | LEU | ARG | ALA | ALA | LEU | ASP | PHE | ASP | PRO | ||||
| 6 | THR | TYR | SER | VAL | ALA | TRP | LYS | TRP | LEU | GLY | ||||
| 7 | LYS | THR | LEU | GLN | GLY | GLN | GLY | ASP | ARG | ALA | ||||
| 8 | GLY | ALA | ARG | GLN | ALA | TRP | GLU | SER | GLY | LEU | ||||
| 9 | ALA | ALA | ALA | GLN | SER | ARG | GLY | ASP | GLN | GLN | ||||
| 10 | VAL | VAL | LYS | GLU | LEU | GLN | VAL | PHE | LEU | ARG | ||||
| 11 | ARG | LEU | ALA | ARG | GLU | ASP | ALA | LEU | GLU | HIS | ||||
| 12 | HIS | HIS | HIS | HIS | HIS |
Samples:
sample_2: BPP, [U-5% 13C; U-100% 15N], 0.3 mM; H2O 90%; D2O 10%; Ammonium Acetate 20 mM; NaCl 200 mM; CaCl2 5 mM; DTT 10 mM; DSS 50 uM; NaN3 .02%
sample_1: BPP, [U-100% 13C; U-100% 15N], 0.3 mM; H2O 90%; D2O 10%; Ammonium Acetate 20 mM; NaCl 200 mM; CaCl2 5 mM; DTT 10 mM; DSS 50 uM; NaN3 .02%
sample_conditions_1: ionic strength: 0.2 M; pH: 4.5; pressure: 1 atm; temperature: 278 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_2 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_2 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_2 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_2 | isotropic | sample_conditions_1 |
| 3D HBHA(CO)NH | sample_2 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_2 | isotropic | sample_conditions_1 |
| (4,3)D GFT HCCH-COSY | sample_2 | isotropic | sample_conditions_1 |
| 3D, 15N-13C RESOLVED SIMULTANIOUS NOESY | sample_2 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_2 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
Software:
CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinement
CYANA, Guntert, Mumenthaler and Wuthrich - structure solution
AutoAssign, Zimmerman, Moseley, Kulikowski and Montelione - chemical shift assignment
AutoStruct, Huang, Tejero, Powers and Montelione - structure solution
XEASY, Bartels et al. - peak picking
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
PSVS, Bhattacharya and Montelione - data analysis
NMR spectrometers:
- Varian INOVA 600 MHz
- Varian INOVA 750 MHz
Related Database Links:
| PDB | |
| DBJ | BAO69438 |
| EMBL | CAE33376 CAE38207 CAE41600 CCJ49952 CCJ52604 |
| GB | AEE66689 AIW92849 AIW95226 AJB27345 ALH49899 |
| REF | NP_880070 WP_003811313 WP_015039931 WP_029443804 WP_041937430 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts