BMRB Entry 15762
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR15762
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Title: NMR Structure of Protein yiiS from Shigella flexneri: Northeast Structural Genomics Consortium Target SfR90
Deposition date: 2008-05-08 Original release date: 2008-05-09
Authors: Mills, Jeffrey; Singarapu, Kiran Kumar; Eletski, Alex; Sukumaran, Dinesh; Wang, Dongyang; Jiang, Mei; Ciccosanti, Colleen; Xiao, Rong; Liu, Jinfeng; Baran, Michael; Swapna, G.V.T; Acton, Thomas; Rost, Burkhard; Montelione, Gaetano; Szyperski, Thomas
Citation: Mills, Jeffrey; Singarapu, Kiran Kumar; Eletski, Alex; Sukumaran, Dinesh; Wang, Dongyang; Jiang, Mei; Ciccosanti, Colleen; Xiao, Rong; Liu, Jinfeng; Baran, Michael; Swapna, G. V. T.; Acton, Thomas; Rost, Burkhard; Montelione, Gaetano; Szyperski, Thomas. "NMR STRUCTURE OF PROTEIN YIIS FROM SHIGELLA FLEXNERI: NORTHEAST STRUCTURAL GENOMICS TARGET SFR90" Not known ., .-..
Assembly members:
SfR90, polymer, 109 residues, 12030.683 Da.
Natural source: Common Name: Shigella flexneri Taxonomy ID: 623 Superkingdom: Bacteria Kingdom: not available Genus/species: Shigella flexneri
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
SfR90: MAMKDVVDKCSTKGCAIDIG
TVIDNDNCTSKFSRFFATRE
EAESFMTKLKELAAAASSAD
EGASVAYKIKDLEGQVELDA
AFTFSCQAEMIIFELSLRSL
ALEHHHHHH
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 417 |
| 15N chemical shifts | 105 |
| 1H chemical shifts | 683 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | SfR90 | 1 |
Entities:
Entity 1, SfR90 109 residues - 12030.683 Da.
| 1 | MET | ALA | MET | LYS | ASP | VAL | VAL | ASP | LYS | CYS | ||||
| 2 | SER | THR | LYS | GLY | CYS | ALA | ILE | ASP | ILE | GLY | ||||
| 3 | THR | VAL | ILE | ASP | ASN | ASP | ASN | CYS | THR | SER | ||||
| 4 | LYS | PHE | SER | ARG | PHE | PHE | ALA | THR | ARG | GLU | ||||
| 5 | GLU | ALA | GLU | SER | PHE | MET | THR | LYS | LEU | LYS | ||||
| 6 | GLU | LEU | ALA | ALA | ALA | ALA | SER | SER | ALA | ASP | ||||
| 7 | GLU | GLY | ALA | SER | VAL | ALA | TYR | LYS | ILE | LYS | ||||
| 8 | ASP | LEU | GLU | GLY | GLN | VAL | GLU | LEU | ASP | ALA | ||||
| 9 | ALA | PHE | THR | PHE | SER | CYS | GLN | ALA | GLU | MET | ||||
| 10 | ILE | ILE | PHE | GLU | LEU | SER | LEU | ARG | SER | LEU | ||||
| 11 | ALA | LEU | GLU | HIS | HIS | HIS | HIS | HIS | HIS |
Samples:
sample_1: SfR90, [U-100% 13C; U-100% 15N], 1.1 mM; DSS 50 uM; NaN3 0.02%; DTT 100 mM; CaCl2 5 mM; NaCl 100 mM; MES 20 mM
sample_2: SfR90, [U-5% 13C; U-100% 15N], 1.02 mM; DSS 50 uM; NaN3 0.02%; DTT 100 mM; CaCl2 5 mM; NaCl 100 mM; MES 20 mM
sample_conditions_1: ionic strength: 0.2 M; pH: 6.5; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 4,3 D GFT HNNACBCA | sample_1 | isotropic | sample_conditions_1 |
| 4,3 D GFT CABCACONHN | sample_1 | isotropic | sample_conditions_1 |
| 4,3D HABCABCONHN | sample_1 | isotropic | sample_conditions_1 |
| 4,3D GFT HCCH COSY | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-COSY | sample_1 | isotropic | sample_conditions_1 |
| 3D SimNOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_2 | isotropic | sample_conditions_1 |
Software:
CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinement
CYANA, Guntert, Mumenthaler and Wuthrich - structure solution
XEASY, Bartels et al. - chemical shift assignment, data analysis
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
VNMRJ, Varian - collection
AutoAssign, Zimmerman, Moseley, Kulikowski and Montelione - chemical shift assignment
AutoStruct, Huang, Tejero, Powers and Montelione - structure solution
PSVS, Bhattacharya and Montelione - structure solution
TALOS, Cornilescu, Delaglio and Bax - structure solution
NMR spectrometers:
- Varian INOVA 750 MHz
Related Database Links:
| PDB | |
| DBJ | BAB38270 BAE77388 BAG79735 BAI27828 BAI33302 |
| EMBL | CAP78379 CAQ34273 CAR00898 CAR05552 CAR10594 |
| GB | AAB03054 AAC76904 AAG59115 AAN45433 AAN83302 |
| REF | NP_312874 NP_418357 NP_709726 WP_000655983 WP_000655984 |
| SP | P32162 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts