BMRB Entry 15288
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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/BMR15288
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Title: NMR solution structure of Bacillus subtilis YobA 21-120: Northeast Structural Genomics Consortium target SR547
Deposition date: 2007-06-06 Original release date: 2008-02-20
Authors: Cort, John; Ramelot, Theresa; Cort, Chen; Jang, Mei; Cunningham, Kellie; Ma, Li-Chung; Xiao, Rong; Liu, Jinfeng; Baran, Michael; Acton, Thomas; Rost, Burkhard; Montelione, Gaetano; Kennedy, Michael
Citation: Cort, John. "NMR solution structure of Bacillus subtilis YobA 21-120" . ., .-..
Assembly members:
YobA 21-120, polymer, 108 residues, Formula weight is not available
Natural source: Common Name: not available Taxonomy ID: 1423 Superkingdom: Bacteria Kingdom: not available Genus/species: Bacillus subtilis
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
YobA 21-120: MNKNEQNGDETKMQSLVGYV
VLKDNERAILITDTKAPGKE
DYNLSEGQLMNKFKNNIVIV
GLSEIDNTDDLKRGEKIKVW
FHTRKESNPPSATIQKYELL
LEHHHHHH
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 456 |
| 15N chemical shifts | 117 |
| 1H chemical shifts | 751 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | YobA 21-120 | 1 |
Entities:
Entity 1, YobA 21-120 108 residues - Formula weight is not available
Residue 2 in this entry corresponds to residue 21 in the public database sequence; the first 20 are a putative signal peptide sequence and have been truncated.
| 1 | MET | ASN | LYS | ASN | GLU | GLN | ASN | GLY | ASP | GLU | ||||
| 2 | THR | LYS | MET | GLN | SER | LEU | VAL | GLY | TYR | VAL | ||||
| 3 | VAL | LEU | LYS | ASP | ASN | GLU | ARG | ALA | ILE | LEU | ||||
| 4 | ILE | THR | ASP | THR | LYS | ALA | PRO | GLY | LYS | GLU | ||||
| 5 | ASP | TYR | ASN | LEU | SER | GLU | GLY | GLN | LEU | MET | ||||
| 6 | ASN | LYS | PHE | LYS | ASN | ASN | ILE | VAL | ILE | VAL | ||||
| 7 | GLY | LEU | SER | GLU | ILE | ASP | ASN | THR | ASP | ASP | ||||
| 8 | LEU | LYS | ARG | GLY | GLU | LYS | ILE | LYS | VAL | TRP | ||||
| 9 | PHE | HIS | THR | ARG | LYS | GLU | SER | ASN | PRO | PRO | ||||
| 10 | SER | ALA | THR | ILE | GLN | LYS | TYR | GLU | LEU | LEU | ||||
| 11 | LEU | GLU | HIS | HIS | HIS | HIS | HIS | HIS |
Samples:
NC: entity, [U-100% 13C; U-100% 15N], 0.75 mM; dithiothreitol 10 mM; calcium chloride 5 mM; sodium chloride 100 mM; ammonium acetate 20 mM; sodium azide 0.02%; H2O 95%; D2O 5%
NC5: entity, [5% 13C; U-100% N15], 0.79 mM; dithiothreitol 10 mM; calcium chloride 5 mM; sodium chloride 100 mM; ammonium acetate 20 mM; sodium azide 0.02%; H2O 95%; D2O 5%
NC_D2O: entity, [U-100% 13C; U-100% 15N], 0.75 mM; dithiothreitol 10 mM; calcium chloride 5 mM; sodium chloride 100 mM; ammonium acetate 20 mM; sodium azide 0.02%; D2O 100%
sample_conditions_1: pH: 4.5; pressure: 1 atm; temperature: 293 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | NC | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | NC5 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | NC | isotropic | sample_conditions_1 |
| 3D HNCACB | NC | isotropic | sample_conditions_1 |
| 3D HBHA(CO)NH | NC | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | NC | isotropic | sample_conditions_1 |
| 3D HNHA | NC | isotropic | sample_conditions_1 |
| 3D HNCO | NC | isotropic | sample_conditions_1 |
| 3D CCH-TOCSY | NC | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | NC | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY | NC | isotropic | sample_conditions_1 |
| 4D 1H-13C-13C-1H HMQC-NOESY | NC_D2O | isotropic | sample_conditions_1 |
Software:
AutoStruct, Huang, Tejero, Powers and Montelione - structure solution
SPARKY, Goddard - data analysis
FELIX, Accelrys Software Inc. - processing
X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement
PSVS, Bhattacharya and Montelione - structure evaluation
NMR spectrometers:
- Varian INOVA 600 MHz
- Varian INOVA 750 MHz
Related Database Links:
| PDB | |
| DBJ | BAM52538 BAM58113 |
| EMBL | CAB13773 CEI57077 CEJ77502 |
| GB | ADV92789 AFQ57816 AGG61259 AHA77924 AIC40308 |
| REF | NP_389762 WP_003231383 WP_015714070 WP_029318065 WP_038429094 |
| SP | O31835 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts