BMRB Entry 15089
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR15089
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Title: Solution NMR structure of Q8ZRJ2 from Salmonella typhimurium. Northeast Structural Genomics target StR65. PubMed: TBA
Deposition date: 2006-12-29 Original release date: 2008-09-25
Authors: Aramini, James; Cort, John; Chi, Ho; Kellie, Cunningham; Li-Chung, Ma; Rong, Xiao; Jinfeng, Liu; Micheal, Baran; Gurla, Swapna; Thomas, Acton; Burkhard, Rost; Gaetano, Montelione
Citation: Aramini, James; Cort, John; Chi, Ho; Kellie, Cunningham; Li-Chung, Ma; Rong, Xiao; Jinfeng, Liu; Micheal, Baran; Gurla, Swapna; Thomas, Acton; Burkhard, Rost; Montelione, Gaetano. "Solution NMR structure of Q8ZRJ2 from Salmonella typhimurium. Northeast Structural Genomics target StR65." . ., .-..
Assembly members:
StR65, polymer, 115 residues, 12949.884 Da.
Natural source: Common Name: Salmonella typhimurium Taxonomy ID: 602 Superkingdom: not available Kingdom: Bacteria Genus/species: not available Salmonella
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
StR65: MVNFKDKSMPTAIEKALDFI
GGMNTSASVPHSMDESTAKG
ILKYLHDLGVPVSPEVVVAR
GEQEGWNPEFTKKVAGWAEK
VASGNRILIKNPEYFSTYMQ
EQLKELVLEHHHHHH
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 483 |
| 15N chemical shifts | 108 |
| 1H chemical shifts | 768 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | StR65 | 1 |
Entities:
Entity 1, StR65 115 residues - 12949.884 Da.
Residues 108-115 represent a non-native affinity tag.
| 1 | MET | VAL | ASN | PHE | LYS | ASP | LYS | SER | MET | PRO | ||||
| 2 | THR | ALA | ILE | GLU | LYS | ALA | LEU | ASP | PHE | ILE | ||||
| 3 | GLY | GLY | MET | ASN | THR | SER | ALA | SER | VAL | PRO | ||||
| 4 | HIS | SER | MET | ASP | GLU | SER | THR | ALA | LYS | GLY | ||||
| 5 | ILE | LEU | LYS | TYR | LEU | HIS | ASP | LEU | GLY | VAL | ||||
| 6 | PRO | VAL | SER | PRO | GLU | VAL | VAL | VAL | ALA | ARG | ||||
| 7 | GLY | GLU | GLN | GLU | GLY | TRP | ASN | PRO | GLU | PHE | ||||
| 8 | THR | LYS | LYS | VAL | ALA | GLY | TRP | ALA | GLU | LYS | ||||
| 9 | VAL | ALA | SER | GLY | ASN | ARG | ILE | LEU | ILE | LYS | ||||
| 10 | ASN | PRO | GLU | TYR | PHE | SER | THR | TYR | MET | GLN | ||||
| 11 | GLU | GLN | LEU | LYS | GLU | LEU | VAL | LEU | GLU | HIS | ||||
| 12 | HIS | HIS | HIS | HIS | HIS |
Samples:
sample_1: StR65, [U-100% 13C; U-100% 15N], 1.17 mM; MES 20 mM; NaCl 100 mM; CaCl2 5 mM; DTT 10 mM; sodium azide 0.02%
sample_2: StR65, [U-5% 13C; U-100% 15N], 0.89 mM; MES 20 mM; NaCl 100 mM; CaCl2 5 mM; DTT 10 mM; sodium azide 0.02%
sample_conditions_1: ionic strength: 100 mM; pH: 6.5; pressure: 1 atm; temperature: 293 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 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-COSY | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D TR backbone expts | sample_1 | isotropic | sample_conditions_1 |
| 3D TR backbone expts | sample_1 | isotropic | sample_conditions_1 |
| high resolution 2D 1H-13C HSQC | sample_2 | isotropic | sample_conditions_1 |
Software:
VNMR v6.1C, Varian - collection
xwinnmr vXWINNMR 3.5pl6, Bruker - collection
AutoAssign v2.2.1, Zimmerman, Moseley, Kulikowski, Montelione - chemical shift assignment
SPARKY v3.110, Goddard - data analysis, peak picking
NMRPipe v2.3, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
AutoStruct v2.1.1, Huang, Tejero, Powers and Montelione - refinement, structure solution
X-PLOR NIH v2.11.2, Schwieters, Kuszewski, Tjandra and Clore - refinement
CNS v1.1, Brunger, Adams, Clore, Gros, Nilges and Read - refinement
PDBStat v4.1, Tejero and Montelione - data analysis
PSVS v1.3, Bhattacharya, Hang and Montelione - data analysis
NMR spectrometers:
- Varian INOVA 750 MHz
- Varian INOVA 600 MHz
- Bruker AMX 600 MHz
- Varian INOVA 500 MHz
Related Database Links:
| PDB | |
| DBJ | BAJ35334 BAP06087 GAL41201 GAL45758 |
| EMBL | CAR31896 CAR36239 CBG23406 CBW16422 CBY94375 |
| GB | AAL19281 AAX64278 ACF65524 ACN44523 ACY86903 |
| REF | NP_459322 WP_001141634 WP_001141635 WP_001141636 WP_001141637 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts