BMRB Entry 6717
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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/BMR6717
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry
Citation: Aramini, J.; Swapna, G.; Xiao, R.; Ma, L.; Shastry, R.; Ciano, M.; Acton, T.; Liu, J.; Rost, B.; Cort, J.; Kennedy, M.; Montelione, G.. "Solution NMR structure of the UPF0213 protein BH0048 from Bacillus halodurans.
Northeast Structural Genomics target BhR2. " .
Assembly members:
BhR2, polymer, 107 residues, Formula weight is not available
Natural source: Common Name: Bacillus halodurans Taxonomy ID: 86665 Superkingdom: Bacteria Kingdom: not available Genus/species: Bacillus halodurans
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: PET21
Entity Sequences (FASTA):
BhR2: MAGDPMNHYVYILECKDGSW
YTGYTTDVDRRIKKHASGKG
AKYTRGRGPFRLVATWAFPS
KEEAMRWEYEVKHLSRRKKE
QLVSLKGGPYENTTKLSTTL
EHHHHHH
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 659 |
| 13C chemical shifts | 443 |
| 15N chemical shifts | 100 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Hypothetical UPF0213 protein BH0048 | 1 |
Entities:
Entity 1, Hypothetical UPF0213 protein BH0048 107 residues - Formula weight is not available
| 1 | MET | ALA | GLY | ASP | PRO | MET | ASN | HIS | TYR | VAL | ||||
| 2 | TYR | ILE | LEU | GLU | CYS | LYS | ASP | GLY | SER | TRP | ||||
| 3 | TYR | THR | GLY | TYR | THR | THR | ASP | VAL | ASP | ARG | ||||
| 4 | ARG | ILE | LYS | LYS | HIS | ALA | SER | GLY | LYS | GLY | ||||
| 5 | ALA | LYS | TYR | THR | ARG | GLY | ARG | GLY | PRO | PHE | ||||
| 6 | ARG | LEU | VAL | ALA | THR | TRP | ALA | PHE | PRO | SER | ||||
| 7 | LYS | GLU | GLU | ALA | MET | ARG | TRP | GLU | TYR | GLU | ||||
| 8 | VAL | LYS | HIS | LEU | SER | ARG | ARG | LYS | LYS | GLU | ||||
| 9 | GLN | LEU | VAL | SER | LEU | LYS | GLY | GLY | PRO | TYR | ||||
| 10 | GLU | ASN | THR | THR | LYS | LEU | SER | THR | THR | LEU | ||||
| 11 | GLU | HIS | HIS | HIS | HIS | HIS | HIS |
Samples:
sample_1: BhR2, [U-13C; U-15N], 0.67 mM; MES 20 mM; NaCl 100 mM; CaCl2 5 mM; DTT 10 mM; NaN3 0.02%; D2O 5%; H2O 95%
sample_2: BhR2, [U-13C; U-15N], 0.67 mM; MES 20 mM; NaCl 100 mM; CaCl2 5 mM; DTT 10 mM; NaN3 0.02%; D2O 100%
sample_3: BhR2, [U-5% 13C; U-15N], 0.56 mM; MES 20 mM; NaCl 100 mM; CaCl2 5 mM; DTT 10 mM; NaN3 0.02%; D2O 5%; H2O 95%
sample_cond_1: pH: 6.5; temperature: 293 K; ionic strength: 100 mM; pressure: 1 atm
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 3D 15N-separated NOESY | not available | not available | not available |
| 3D 13C-separated NOESY | not available | not available | not available |
| HNHA | not available | not available | not available |
| high resolution CH-HSQC | not available | not available | not available |
| backbone TR expts | not available | not available | not available |
| TOCSYs | not available | not available | not available |
| HCCH COSY | not available | not available | not available |
Software:
XWINNMR v3.5pl6 - collection
VNMR v6.1C - collection
NMRPipe v2.3 - processing
Sparky v3.91 - data analysis
AUTOASSIGN v1.15 - data analysis
AUTOSTRUCTURE v2.1.0 - refinement
XPLOR-NIH v2.0.6 - refinement
CNS v1.1 - refinement
PDBstat v3.25 - data analysis
PSVS v1.0 - data analysis
FindCore v1.0 - data analysis
NMR spectrometers:
- Varian INOVA 750 MHz
- Bruker AVANCE 500 MHz
- Varian INOVA 500 MHz
- Varian INOVA 600 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated peaks
SPARKY: Backbone
or all simulated peaks