BMRB Entry 30194
Click here to enlarge.
PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR30194
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
NMR-STAR v2.1 text file (deprecated)
XML gzip file.
RDF gzip file.
All files associated with the entry
Title: Solution Structure of the C-terminal multimerization domain of the master biofilm-regulator SinR from Bacillus subtilis
Deposition date: 2016-10-13 Original release date: 2017-10-19
Authors: Draughn, G.; Bobay, B.; Stowe, S.; Thompson, R.; Cavanagh, J.
Citation: Draughn, G.; Bobay, B.; Stowe, S.; Thompson, R.; Cavanagh, J.. "Solution Structure of the C-terminal multimerization domain of the master biofilm-regulator SinR from Bacillus subtilis" . ., .-..
Assembly members:
HTH-type transcriptional regulator SinR, polymer, 47 residues, 5722.338 Da.
Natural source: Common Name: firmicutes Taxonomy ID: 224308 Superkingdom: Bacteria Kingdom: not available Genus/species: Bacillus subtilis
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
HTH-type transcriptional regulator SinR: GSHMEYDGQLDSEWEKLVRD
AMTSGVSKKQFREFLDYQKW
RKSQKEE
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 209 |
| 15N chemical shifts | 54 |
| 1H chemical shifts | 312 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1, chain 1 | 1 |
| 2 | entity_1, chain 2 | 1 |
| 3 | entity_1, chain 3 | 1 |
| 4 | entity_1, chain 4 | 1 |
Entities:
Entity 1, entity_1, chain 1 47 residues - 5722.338 Da.
| 1 | GLY | SER | HIS | MET | GLU | TYR | ASP | GLY | GLN | LEU | ||||
| 2 | ASP | SER | GLU | TRP | GLU | LYS | LEU | VAL | ARG | ASP | ||||
| 3 | ALA | MET | THR | SER | GLY | VAL | SER | LYS | LYS | GLN | ||||
| 4 | PHE | ARG | GLU | PHE | LEU | ASP | TYR | GLN | LYS | TRP | ||||
| 5 | ARG | LYS | SER | GLN | LYS | GLU | GLU |
Samples:
sample_1: MES 20 mM; SinRC, [U-15N], 1 mM; sodium azide 0.02%; sodium chloride 200 mM; H2O 90%; D2O 10%
sample_2: MES 20 mM; SinRC, [U-13C; U-15N], 1 mM; sodium azide 0.02%; sodium chloride 200 mM; H2O 90%; D2O 10%
sample_3: MES 20 mM; SinRC, [U-13C; U-15N], 1 mM; sodium azide 0.02%; sodium chloride 200 mM; D2O 100%
sample_conditions_1: ionic strength: 200 mM; pH: 6; 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_3 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_2 | isotropic | sample_conditions_1 |
| 3D HN(CO)CA | sample_2 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_2 | isotropic | sample_conditions_1 |
| 3D HN(CA)CO | sample_2 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_2 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_2 | isotropic | sample_conditions_1 |
| 3D 1H-15N TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D C(CO)NH | sample_2 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY | sample_3 | isotropic | sample_conditions_1 |
Software:
AMBER v14, Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman - refinement
CYANA v3.0, Guntert, Mumenthaler and Wuthrich - structure calculation
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
NMRView, Johnson, One Moon Scientific - chemical shift assignment, peak picking
NMR spectrometers:
- Bruker Avance 700 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts